TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T89534	Estrogen receptor	B01SUR	Chembl4162076	Investigative	145959948	C11H12N2O7	284.22	CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]	IC50 > 200000 nM	Non binder
T89534	Estrogen receptor	B0FO6H	2,4-Bis-benzylsulfanyl-6-phenethyl-pyrimidine	Investigative	25131895	C26H24N2S2	428.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)SCC3=CC=CC=C3)SCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B0OHW5	Benzyl-[4,6-bis-(3-met hyl-butyl)-pyrimidin-2-yl]-amine	Investigative	25130562	C21H31N3	325.5	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC=C2)CCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B0X8LC	(4,6-Distyryl-pyrimidin-2-yl)-isobutyl-amine	Investigative	25130563	C24H25N3	355.5	CC(C)CNC1=NC(=CC(=N1)/C=C/C2=CC=CC=C2)/C=C/C3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B0Y4WF	N,N'',N''''-Tribenzyl-pyrimidine-2,4,6-triamine	Investigative	25130567	C25H25N5	395.5	C1=CC=C(C=C1)CNC2=CC(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B13QFT	N2,N4-Dimethyl-N2,N4-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diamine	Investigative	25131213	C22H34N4	354.5	CC(C)CN(C)C1=NC(=NC(=C1)CCC2=CC=CC=C2)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B1N7TE	2,4-Bis-benzyloxy-6-phenethyl-pyrimidine	Investigative	25131894	C26H24N2O2	396.5	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	B1ZV3N	N4-Benzyl-6-(3-methyl-butyl)-N2-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25129858	C27H30N4	410.6	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	B2ANQ1	2,4,6-Tris-benzylsulfanyl-pyrimidine	Investigative	25128816	C25H22N2S3	446.7	C1=CC=C(C=C1)CSC2=CC(=NC(=N2)SCC3=CC=CC=C3)SCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B2LMR0	Pisatin	Investigative	101689	C17H14O6	314.29	COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=CC5=C(C=C4O3)OCO5)O	IC50 > 5000000 nM	Non binder
T89534	Estrogen receptor	B2MU7R	Naphthalen-1-ylmethyl-{2-[(naphthalen-1-ylmethyl)-amino]-6-styryl-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25133607	C39H36N4O2	592.7	CC(C)(C)OC(=O)N(CC1=CC=CC2=CC=CC=C21)C3=NC(=NC(=C3)/C=C/C4=CC=CC=C4)NCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B2NRO6	(2-Benzylamino-6-phenethyl-pyrimidin-4-yl)-isobutyl-carbamicAcid tert-Butyl Ester	Investigative	25132248	C28H36N4O2	460.6	CC(C)CN(C1=NC(=NC(=C1)CCC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B2QT0X	(4,6-Diphenethyl-pyrimidin-2-yl)-naphthalen-1-ylmethyl-amine	Investigative	25130566	C31H29N3	443.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)CCC5=CC=CC=C5	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B31PBN	1beta-Hydroxy-6,7alpha-dihydroxyeudesm-4(15)-ene	Investigative	53262781	C15H26O3	254.36	CC(C)[C@@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C)O	IC50 = 2800000 nM	Non binder
T89534	Estrogen receptor	B34FWD	3,5-Di-tert-butyl-4-hydroxybenzoic acid butyl ester	Investigative	19087421	C19H30O3	306.4	CCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C	IC50 > 200000 nM	Non binder
T89534	Estrogen receptor	B37UEB	Isobutyl-{6-(3-methyl-butyl)-2-[(naphthalen-1-ylmethyl)-amino]-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25129160	C29H40N4O2	476.7	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)N(CC(C)C)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B3JX4G	N2-Benzyl-N4-naphthalen-1-ylmethyl-6-phenethyl-pyrimidine-2,4-diamine	Investigative	25132600	C30H28N4	444.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC5=CC=CC=C54	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	B3LSN4	N4-Methyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine	Investigative	25129166	C18H34N4	306.5	CC(C)CCC1=CC(=NC(=N1)NCC(C)C)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B3YO4Q	N,N-Dinaphthalen-1-ylmethyl-(6-styryl-pyrimidin-2,4-yl)-diamine	Investigative	25133950	C34H28N4	492.6	C1=CC=C(C=C1)/C=C/C2=CC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B48DWJ	2,4-Bis-(2-methyl-propane-1-sulfonyl)-6-phenethyl-pyrimidine	Investigative	25133260	C20H28N2O4S2	424.6	CC(C)CS(=O)(=O)C1=NC(=NC(=C1)CCC2=CC=CC=C2)S(=O)(=O)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B4EG5X	Benzyl-(2-isobutylamino-6-styryl-pyrimidin-4-yl)-carbamic acid tert-butyl ester	Investigative	25131898	C28H34N4O2	458.6	CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)/C=C/C3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B4J0SO	[4,6-Bis-(3-methyl-butyl)-pyrimidin-2-yl]-isobutyl-amine	Investigative	25128810	C18H33N3	291.5	CC(C)CCC1=CC(=NC(=N1)NCC(C)C)CCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B4Y1PJ	(4,6-Diphenethyl-pyrimidin-2-yl)-isobutyl-amine	Investigative	25130565	C24H29N3	359.5	CC(C)CNC1=NC(=CC(=N1)CCC2=CC=CC=C2)CCC3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B5B6JF	Benzyl-(4,6-diphenethyl-pyrimidin-2-yl)-amine	Investigative	25128813	C27H27N3	393.5	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC=C3)CCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B5UFG1	2,4-Diisobutylamino-pyrimidine	Investigative	44569027	C12H22N4	222.33	CC(C)CNC1=CC(=NC=N1)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B62RPN	N,N-Dibenzyl-(6-styryl-pyrimidin-2,4-yl)-diamine	Investigative	25132934	C26H24N4	392.5	C1=CC=C(C=C1)CNC2=NC(=NC(=C2)/C=C/C3=CC=CC=C3)NCC4=CC=CC=C4	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	B6BGW1	2,4,6-Tris-isobutylsulfanyl-pyrimidine	Investigative	25130894	C16H28N2S3	344.6	CC(C)CSC1=CC(=NC(=N1)SCC(C)C)SCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B6J9NZ	2-N,4-N-Dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-naphthalen-1-ylethyl)pyrimidine-2,4-diamine	Investigative	25129163	C26H36N4	404.6	CC(C)CN(C)C1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B6SP2Z	N2,N4-Dimethyl-N2,N4-diisobutyl-(6-styryl-pyrimidin-2,4-yl)-diamine	Investigative	25130900	C22H32N4	352.5	CC(C)CN(C)C1=NC(=NC(=C1)/C=C/C2=CC=CC=C2)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B6UWJ9	Chembl4206393	Investigative	145968920	C30H29NO3	451.6	CC1CC2=C(C(C3=C(O2)CC(CC3=O)C)C4=CC5=CC=CC=C5N4CC6=CC=CC=C6)C(=O)C1	IC50 = 482300 nM	Non binder
T89534	Estrogen receptor	B70HRB	N2-Isobutyl-N4-naphthalen-1-ylmethyl-6-phenethyl-pyrimidine-2,4-diamine	Investigative	25133952	C27H30N4	410.6	CC(C)CNC1=NC(=CC(=N1)NCC2=CC=CC3=CC=CC=C32)CCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B78RWT	[2-Benzylamino-6-(2-naphthalen-1-yl-ethyl)-pyrimidin-4-yl]-naphthalen-1-ylmethylcarbamic acid tert-butyl ester	Investigative	25129855	C39H38N4O2	594.7	CC(C)(C)OC(=O)N(CC1=CC=CC2=CC=CC=C21)C3=NC(=NC(=C3)CCC4=CC=CC5=CC=CC=C54)NCC6=CC=CC=C6	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B7ENB5	Naphthalen-1-ylmethyl-{2-[(naphthalen-1-ylmethyl)-amino]-6-phenethyl-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25133954	C39H38N4O2	594.7	CC(C)(C)OC(=O)N(CC1=CC=CC2=CC=CC=C21)C3=NC(=NC(=C3)CCC4=CC=CC=C4)NCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B7LBH5	N2-Methyl-N2,N4-diisobutyl-(6-phenethyl-pyrimidin-2,4-yl)-diamine	Investigative	25131217	C21H32N4	340.5	CC(C)CNC1=NC(=NC(=C1)CCC2=CC=CC=C2)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B8CXQ6	N2-Benzyl-N4-isobutyl-6-(2-naphthalen-1-yl-ethyl)-pyrimidine-2,4-diamine	Investigative	25133616	C27H30N4	410.6	CC(C)CNC1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B8QH1R	N2-Isobutyl-6-(2-naphthalen-1-yl-ethyl)-N4-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25130216	C31H32N4	460.6	CC(C)CNC1=NC(=CC(=N1)NCC2=CC=CC3=CC=CC=C32)CCC4=CC=CC5=CC=CC=C54	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B9AMF7	2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-6-isoquinolinol	Investigative	52937308	C19H17NO3S	339.4	C1CN(CC2=C1C=C(C=C2)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43	EC50 = 700000 nM	Non binder
T89534	Estrogen receptor	B9B7NQ	2-N-Methyl-2-N,4-N-bis(2-methylpropyl)-6-(2-naphthalen-1-ylethyl)pyrimidine-2,4-diamine	Investigative	25131215	C25H34N4	390.6	CC(C)CNC1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)N(C)CC(C)C	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	B9CJ7H	N4-Benzyl-N2-naphthalen-1-ylmethyl-6-phenethyl-pyrimidine-2,4-diamine	Investigative	25132599	C30H28N4	444.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC=C5	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B9KMT1	2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-7-isoquinolinol	Investigative	52937309	C19H17NO3S	339.4	C1CN(CC2=C1C=CC(=C2)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43	EC50 = 600000 nM	Non binder
T89534	Estrogen receptor	B9M8PF	Tephrocandidin A	Investigative	54584962	C21H22O5	354.4	CC(C)(/C=C\\C1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)O	IC50 = 3500000 nM	Non binder
T89534	Estrogen receptor	B9P3NI	2,4-Bis-isobutylsulfanyl-6-(3-methyl-butyl)-pyrimidine	Investigative	25128806	C17H30N2S2	326.6	CC(C)CCC1=CC(=NC(=N1)SCC(C)C)SCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	B9WZC1	4-Phenethyl-2,6-bis-phenylmethanesulfonyl-pyrimidine	Investigative	25133261	C26H24N2O4S2	492.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BAQ79E	N2-Benzyl-6-(2-naphthalen-1-yl-ethyl)-N4-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25133956	C34H30N4	494.6	C1=CC=C(C=C1)CNC2=NC(=CC(=N2)NCC3=CC=CC4=CC=CC=C43)CCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BB23IL	N2-Benzyl-6-(3-methyl-butyl)-N4-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25129859	C27H30N4	410.6	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BB6D4V	N4-Benzyl-N2-naphthalen-1-ylmethyl-6-styryl-pyrimidine-2,4-diamine	Investigative	25132251	C30H26N4	442.6	C1=CC=C(C=C1)CNC2=NC(=NC(=C2)/C=C/C3=CC=CC=C3)NCC4=CC=CC5=CC=CC=C54	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BC18GS	2,4-Diisobutoxy-6-styryl-pyrimidine	Investigative	25132935	C20H26N2O2	326.4	CC(C)COC1=NC(=NC(=C1)/C=C/C2=CC=CC=C2)OCC(C)C	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BC2OM0	Benzyl-(4,6-distyryl-pyrimidin-2-yl)-amine	Investigative	25128812	C27H23N3	389.5	C1=CC=C(C=C1)CNC2=NC(=CC(=N2)/C=C/C3=CC=CC=C3)/C=C/C4=CC=CC=C4	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BC3HE2	N4-Benzyl-6-(2-naphthalen-1-yl-ethyl)-N2-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25133955	C34H30N4	494.6	C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BCQ70U	[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine	Investigative	25129168	C17H31N3O	293.4	CC(C)CCC1=CC(=NC(=N1)OCC(C)C)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BDC2J3	3-(((6-((5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid	Investigative	49862248	C28H22Cl2F3N3O4	592.4	CN(CC1=CC(=CC=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F	EC50 = 1043000 nM	Non binder
T89534	Estrogen receptor	BF3W1J	Benzyl-(2-isobutylamino-6-phenethyl-pyrimidin-4-yl)-carbamic acid tert-butyl ester	Investigative	25133953	C28H36N4O2	460.6	CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)CCC3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BF4IR2	2,4-Dinaphthylen-1-ylmethylamino-6-(1-naphthylethyl)-pyrimidine	Investigative	25132940	C38H32N4	544.7	C1=CC=C2C(=C1)C=CC=C2CCC3=CC(=NC(=N3)NCC4=CC=CC5=CC=CC=C54)NCC6=CC=CC7=CC=CC=C76	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BG2KV9	2,4-Bis-benzylsulfanyl-6-(3-methyl-butyl)-pyrimidine	Investigative	25132939	C23H26N2S2	394.6	CC(C)CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BGM15X	N,N''-Diisobutyl-2-(2-naphthalen-1-yl-ethyl)-pyrimidine-4,6-diamine	Investigative	25133959	C24H32N4	376.5	CC(C)CNC1=CC(=NC(=N1)CCC2=CC=CC3=CC=CC=C32)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BGU40S	N*2*,N*4*-Dibenzyl-6-phenethyl-pyrimidine-2,4-diamine	Investigative	11749762	C26H26N4	394.5	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC=C3)NCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BH0WK2	Tert-butyl N-benzyl-N-[2-(2-methylpropylamino)-6-(2-naphthalen-1-ylethyl)pyrimidin-4-yl]carbamate	Investigative	25133611	C32H38N4O2	510.7	CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)CCC3=CC=CC4=CC=CC=C43	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BH3CA4	N2,N4-Dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine	Investigative	25130899	C19H36N4	320.5	CC(C)CCC1=CC(=NC(=N1)N(C)CC(C)C)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BH52XY	Tert-butyl N-[6-(3-methylbutyl)-2-(2-methylpropylamino)pyrimidin-4-yl]-N-(naphthalen-1-ylmethyl)carbamate	Investigative	25133268	C29H40N4O2	476.7	CC(C)CCC1=CC(=NC(=N1)NCC(C)C)N(CC2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BHKF69	[2-Benzylamino-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutyl-carbamic Acid tert-Butyl Ester	Investigative	25129159	C25H38N4O2	426.6	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC=C2)N(CC(C)C)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BI7UB8	N,N-Diisobutyl-2-(3-methyl-butyl)-pyrimidine-4,6-diamine	Investigative	25130220	C17H32N4	292.5	CC(C)CCC1=NC(=CC(=N1)NCC(C)C)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BI8BN9	2,4,6-Tris-benzyloxy-pyrimidine	Investigative	25130893	C25H22N2O3	398.5	C1=CC=C(C=C1)COC2=CC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BIZG25	Chembl4218756	Investigative	145971019	C32H33NO3	479.6	CC1(CCC(=O)C2=C1OC3=C(C2C4=CC5=CC=CC=C5N4CC6=CC=CC=C6)C(=O)CC(C3)(C)C)C	IC50 = 587190 nM	Non binder
T89534	Estrogen receptor	BJ3R9W	Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine	Investigative	25131544	C17H31N3O2S	341.5	CC(C)CCC1=CC(=NC(=N1)S(=O)(=O)CC(C)C)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BJ6F8Y	2,4-Diisobutoxy-6-(3-methyl-butyl)-pyrimidine	Investigative	25128805	C17H30N2O2	294.4	CC(C)CCC1=CC(=NC(=N1)OCC(C)C)OCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BK4H1O	Benzyl-{6-(3-methyl-butyl)-2-[(naphthalen-1-ylmethyl)-amino]-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25129501	C32H38N4O2	510.7	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)N(CC4=CC=CC=C4)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BKR3V6	[2-Isobutylamino-6-(2-naphthalen-1-yl-ethyl)-pyrimidin-4-yl]-naphthalen-1-ylmethyl-carbamic acid tert-butyl ester	Investigative	25133612	C36H40N4O2	560.7	CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C)CCC4=CC=CC5=CC=CC=C54	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BL21HV	2,4-Bis-benzyloxy-6-(3-methyl-butyl)-pyrimidine	Investigative	25132938	C23H26N2O2	362.5	CC(C)CCC1=CC(=NC(=N1)OCC2=CC=CC=C2)OCC3=CC=CC=C3	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BM3HU5	Chembl4215448	Investigative	145971353	C31H31NO3	465.6	CC1CC2=C(C(C3=C(O2)C(CCC3=O)(C)C)C4=CC5=CC=CC=C5N4CC6=CC=CC=C6)C(=O)C1	IC50 = 355790 nM	Non binder
T89534	Estrogen receptor	BMD4I9	2,2,2-Trifluoro-1-(6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone	Investigative	52937206	C12H12F3NO2	259.22	COC1=CC2=C(CN(CC2)C(=O)C(F)(F)F)C=C1	EC50 = 340000 nM	Non binder
T89534	Estrogen receptor	BMH4Y8	2,4-Benzylamino-6-(1-naphthylethyl)-pyrimidine	Investigative	25128808	C30H28N4	444.6	C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC=C5	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BML60Y	[4,6-Bis-(3-methyl-butyl)-pyrimidin-2-yl]-naphthalen-1-ylmethyl-amine	Investigative	25128811	C25H33N3	375.5	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)CCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BNMB40	Tert-butyl N-(2-methylpropyl)-N-[2-(2-methylpropylamino)-6-(2-naphthalen-1-ylethyl)pyrimidin-4-yl]carbamate	Investigative	25133269	C29H40N4O2	476.7	CC(C)CNC1=NC(=CC(=N1)N(CC(C)C)C(=O)OC(C)(C)C)CCC2=CC=CC3=CC=CC=C32	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BNYS50	N4-Methyl-N2,N4-diisobutyl-(6-styrylpyrimidine-2,4-yl)-diamine	Investigative	25131539	C21H30N4	338.5	CC(C)CNC1=NC(=CC(=N1)N(C)CC(C)C)/C=C/C2=CC=CC=C2	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BO0G7X	7-Hydroxy-8-[(Z)-3-hydroxy-3-methylbut-1-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one	Investigative	53262779	C21H22O6	370.4	CC(C)(/C=C\\C1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)O	IC50 = 1000000 nM	Non binder
T89534	Estrogen receptor	BOGZ70	N-Benzyl-N''-isobutyl-2-(3-methyl-butyl)-pyrimidine-4,6-diamine	Investigative	25130561	C20H30N4	326.5	CC(C)CCC1=NC(=CC(=N1)NCC(C)C)NCC2=CC=CC=C2	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BOIX15	Tert-butyl N-[2-(benzylamino)-6-(2-naphthalen-1-ylethyl)pyrimidin-4-yl]-N-(2-methylpropyl)carbamate	Investigative	25129503	C32H38N4O2	510.7	CC(C)CN(C1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BOK4N6	Chembl4160086	Investigative	9816479	C13H18O5	254.28	CCCCOC(=O)C1=CC(=C(C(=C1)OC)O)OC	IC50 > 200000 nM	Non binder
T89534	Estrogen receptor	BPVY94	N4-Isobutyl-6-(2-naphthalen-1-yl-ethyl)-N2-naphthalen-1-ylmethyl-pyrimidine-2,4-diamine	Investigative	25129860	C31H32N4	460.6	CC(C)CNC1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC5=CC=CC=C54	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BQPR26	2,4-Bis-isobutylsulfanyl-6-phenethyl-pyrimidine	Investigative	25133259	C20H28N2S2	360.6	CC(C)CSC1=NC(=NC(=C1)CCC2=CC=CC=C2)SCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BR9K2J	(4,6-Distyryl-pyrimidin-2-yl)-naphthalen-1-ylmethyl-amine	Investigative	25130564	C31H25N3	439.5	C1=CC=C(C=C1)/C=C/C2=CC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)/C=C/C5=CC=CC=C5	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BRO6P0	N2-Methyl-N2,N4-diisobutyl-(6-styryl-pyrimidin-2,4-yl)-diamine	Investigative	25129164	C21H30N4	338.5	CC(C)CNC1=NC(=NC(=C1)/C=C/C2=CC=CC=C2)N(C)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BSO63M	2-(3-Methylbutyl)-4-N-(2-methylpropyl)-6-N-(naphthalen-1-ylmethyl)pyrimidine-4,6-diamine	Investigative	25133960	C24H32N4	376.5	CC(C)CCC1=NC(=CC(=N1)NCC(C)C)NCC2=CC=CC3=CC=CC=C32	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BSTA97	N4-Benzyl-N2-isobutyl-6-(2-naphthalen-1-yl-ethyl)-pyrimidine-2,4-diamine	Investigative	25130215	C27H30N4	410.6	CC(C)CNC1=NC(=CC(=N1)NCC2=CC=CC=C2)CCC3=CC=CC4=CC=CC=C43	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BT25BV	N4-Isobutyl-N2-naphthalen-1-ylmethyl-6-phenethyl-pyrimidine-2,4-diamine	Investigative	25133951	C27H30N4	410.6	CC(C)CNC1=NC(=NC(=C1)CCC2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BTLI95	Isobutyl-{6-(2-naphthalen-1-yl-ethyl)-2-[(naphthalen-1-ylmethyl)-amino]-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25129504	C36H40N4O2	560.7	CC(C)CN(C1=NC(=NC(=C1)CCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC5=CC=CC=C54)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BTN5W3	Isobutyl-[2-isobutylsulfanyl-6-(3-methyl-butyl)-pyrimidin-4-yl]-amine	Investigative	25131542	C17H31N3S	309.5	CC(C)CCC1=CC(=NC(=N1)SCC(C)C)NCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BU0GX8	N2-Benzyl-N4-isobutyl-6-styryl-pyrimidine-2,4-diamine	Investigative	25132250	C23H26N4	358.5	CC(C)CNC1=NC(=NC(=C1)/C=C/C2=CC=CC=C2)NCC3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BU3MD2	N2,N4-Bis(naphthalen-1-ylmethyl)-6-phenethylpyrimidine-2,4-diamine	Investigative	44569028	C34H30N4	494.6	C1=CC=C(C=C1)CCC2=CC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BUK6H4	4-(3-Methyl-butyl)-2,6-bis-(2-methyl-propane-1-sulfonyl)-pyrimidine	Investigative	25128809	C17H30N2O4S2	390.6	CC(C)CCC1=CC(=NC(=N1)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BUM6N0	2,4-Dinaphthylen-1-ylmethylamino-6-isopentylpyrimidine	Investigative	25132602	C31H32N4	460.6	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC5=CC=CC=C54	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BV0KY2	Benzyl-[2-isobutylamino-6-(3-methyl-butyl)-pyrimidin-4-yl]-carbamic acid tertbutyl ester	Investigative	25133267	C25H38N4O2	426.6	CC(C)CCC1=CC(=NC(=N1)NCC(C)C)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BV2ZU9	2,4-Diisobutoxy-6-phenethyl-pyrimidine	Investigative	25132937	C20H28N2O2	328.4	CC(C)COC1=NC(=NC(=C1)CCC2=CC=CC=C2)OCC(C)C	IC50 > 1000000 nM	Non binder
T89534	Estrogen receptor	BV9B4I	4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine	Investigative	25130897	C16H30N4S	310.5	CC(C)CNC1=CC(=NC(=N1)NCC(C)C)SCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BVUD98	4-(3-Methyl-butyl)-2,6-bis-phenylmethanesulfonyl-pyrimidine	Investigative	25132941	C23H26N2O4S2	458.6	CC(C)CCC1=CC(=NC(=N1)S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BW1H2B	Tert-butyl N-[2-(benzylamino)-6-(3-methylbutyl)pyrimidin-4-yl]-N-(naphthalen-1-ylmethyl)carbamate	Investigative	25129502	C32H38N4O2	510.7	CC(C)CCC1=CC(=NC(=N1)NCC2=CC=CC=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)OC(C)(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BW26CK	4-Isobutoxy-2,6-diisobutylamino-pyrimidine	Investigative	25129161	C16H30N4O	294.44	CC(C)CNC1=CC(=NC(=N1)NCC(C)C)OCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BW5MG1	2,4-Bis-benzyloxy-6-styryl-pyrimidine	Investigative	25132936	C26H22N2O2	394.5	C1=CC=C(C=C1)COC2=NC(=NC(=C2)/C=C/C3=CC=CC=C3)OCC4=CC=CC=C4	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BXGN14	N4-Isobutyl-N2-naphthalen-1-ylmethyl-6-styryl-pyrimidine-2,4-diamine	Investigative	25133608	C27H28N4	408.5	CC(C)CNC1=NC(=NC(=C1)/C=C/C2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BY7FM8	2,4,6-Triisobutoxy-pyrimidine	Investigative	25128815	C16H28N2O3	296.4	CC(C)COC1=CC(=NC(=N1)OCC(C)C)OCC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BYFX26	4-Isobutylsulfonyl-2,6-diisobutylamino-pyrimidine	Investigative	25130898	C16H30N4O2S	342.5	CC(C)CNC1=CC(=NC(=N1)NCC(C)C)S(=O)(=O)CC(C)C	Ki > 1000000 nM	Non binder
T89534	Estrogen receptor	BZ4GI8	Benzyl-{6-(2-naphthalen-1-yl-ethyl)-2-[(naphthalen-1-ylmethyl)-amino]-pyrimidin-4-yl}-carbamic acid tert-butyl ester	Investigative	25129505	C39H38N4O2	594.7	CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=NC(=NC(=C2)CCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65	Ki > 1000000 nM	Non binder