TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T64553 Tyrosine-protein kinase ZAP-70 D0LF1U Flavopiridol Phase 2 5287969 C21H20ClNO5 401.8 CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O IC50 ~ 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B0G8SO 3-({4-[(2,2-Dimethylpropyl)(methyl)amino]-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl}amino)-N-methoxy-4-methylbenzamide Investigative 11454205 C24H38N8O2 470.6 CC1=C(C=C(C=C1)C(=O)NOC)NC2=NC(=NC(=N2)N(C)CC(C)(C)C)N3CCCN(CC3)C IC50 ~ 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B1JLM9 3,10,13,16,23-Pentaazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(23),2,4(9),5,7,11(15),17(22),18,20-nonaen-12-one Investigative 45482637 C18H11N5O 313.3 C1C2=C(C(=O)N1)N3C4=CC=CC=C4N=C3C5=NC6=CC=CC=C6N25 IC50 = 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B28IBR {4-[({[{[{[Carbamoylmethyl-(3-phenyl-propyl)-carbamoyl]-methyl}-(3-phenyl-propyl)-carbamoyl]-methyl}-(3-phenyl-propyl)-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid Investigative 44353160 C49H64N5O8P 882 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CCCC2=CC=CC=C2)CC(=O)N(CCCC3=CC=CC=C3)CC(=O)N(CCCC4=CC=CC=C4)CC(=O)N IC50 = 100000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B2BI5Q 1,2,4-Oxadiazole Analogue 4g Investigative 5329183 C24H26Cl2N5O8P 614.4 CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C2=NC(=NO2)CC3=C(C=C(C=C3)Cl)Cl IC50 = 184000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B2N7EA 3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclopentanol Investigative 22736235 C23H22N4O2 386.4 C1CC(CC1N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5)O IC50 ~ 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B2XAR6 1,2,4-Oxadiazole Analogue 4i Investigative 5329185 C28H30N5O8P 595.5 CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C2=NC(=NO2)CC3=CC=CC4=CC=CC=C43 IC50 = 55000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B4TYS9 Benzeneacetamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-(((2-hydroxy-1-(hydroxymethyl)ethyl)amino)methyl)- Investigative 5282335 C23H30N4O4S2 490.6 CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)CC3=CC=C(C=C3)CNC(CO)CO IC50 ~ 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B52CIH {4-[({[({[(Carbamoylmethyl-ethyl-carbamoyl)-methyl]-ethyl-carbamoyl}-methyl)-isobutyl-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid Investigative 44353601 C30H50N5O8P 639.7 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC)CC(=O)N IC50 = 63000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B62LBZ 1,2,4-Oxadiazole Analogue 5g Investigative 5329189 C23H24F3N4O7P 556.4 C[C@@H](C1=NC(=NO1)CC2=CC(=CC=C2)C(F)(F)F)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C IC50 = 96000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B6OY8V {4-[({[[({[Carbamoylmethyl-(3-phenyl-propyl)-carbamoyl]-methyl}-ethyl-carbamoyl)-methyl]-(3-phenyl-propyl)-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid Investigative 44353525 C42H58N5O8P 791.9 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CCCC2=CC=CC=C2)CC(=O)N(CC)CC(=O)N(CCCC3=CC=CC=C3)CC(=O)N IC50 ~ 100000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B7GT4L N-[(S)-1-[3-(3,4-Dichlorobenzyl)-1,2,4-oxadiazole-5-yl]ethyl]-4-(phosphonooxy)benzenepropanamide Investigative 12968819 C20H20Cl2N3O6P 500.3 C[C@@H](C1=NC(=NO1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)CCC3=CC=C(C=C3)OP(=O)(O)O IC50 = 198000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B8BI0C 5-(3-Aminopropylamino)-7-(3,5-dimethoxyphenylamino)-1,2,4-triazolo[4,3-c]pyrimidine-8-carboxamide Investigative 44578626 C17H22N8O3 386.4 COC1=CC(=CC(=C1)NC2=C(C3=NN=CN3C(=N2)NCCCN)C(=O)N)OC IC50 = 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B8QY4O 1,2,4-Oxadiazole Analogue 4b Investigative 5329179 C25H30N5O8P 559.5 CC1=CC=C(C=C1)CC2=NOC(=N2)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C IC50 = 65000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B93ILO 9H-Imidazo(4,5-H)isoquinolin-9-one, 2-((2,6-dichlorophenyl)amino)-1,8-dihydro-6,7-dimethyl- Investigative 10248747 C18H14Cl2N4O 373.2 CC1=C(NC(=O)C2=C1C=CC3=C2N=C(N3)NC4=C(C=CC=C4Cl)Cl)C IC50 = 80000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 B9OES1 1-(3-(8-(Pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea Investigative 11755812 C26H20F3N7O 503.5 C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CN4C=CN=C4C(=N3)NCC5=CC=NC=C5 IC50 = 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BAEM98 [4-({[({[[(Carbamoylmethyl-ethyl-carbamoyl)-methyl]-(3-phenyl-propyl)-carbamoyl]-methyl}-ethyl-carbamoyl)-methyl]-hexanoyl-amino}-methyl)-benzyl]-phosphonic acid Investigative 44353260 C35H52N5O8P 701.8 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CC)CC(=O)N(CCCC2=CC=CC=C2)CC(=O)N(CC)CC(=O)N IC50 = 100000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BALX83 1-[(1-{2-[(3-Chloro-1,2-Dimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol Investigative 71698376 C22H24ClN7O 437.9 CC1=C(C2=C(N1C)C=CC(=C2)NC3=NC=CC(=N3)N4C=C(C(=N4)C)CN5CC(C5)O)Cl IC50 = 53850 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BAT5O1 {4-[({[[({[Carbamoylmethyl-(3-phenyl-propyl)-carbamoyl]-methyl}-isobutyl-carbamoyl)-methyl]-(3-phenyl-propyl)-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid Investigative 44353173 C44H62N5O8P 820 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CCCC2=CC=CC=C2)CC(=O)N(CC(C)C)CC(=O)N(CCCC3=CC=CC=C3)CC(=O)N IC50 ~ 100000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BB2PT6 1,2,4-Oxadiazole Analogue 7 Investigative 5329199 C22H22F3N4O7P 542.4 CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NCC2=NC(=NO2)CC3=CC=C(C=C3)C(F)(F)F IC50 = 128000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BDA7S1 1,2,4-Oxadiazole Analogue 4e Investigative 5329182 C24H27ClN5O8P 579.9 CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C2=NC(=NO2)CC3=CC(=CC=C3)Cl IC50 = 94000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BI19TQ N-(3,4-Dimethoxyphenyl)-6-(morpholin-4-yl)-9H-purin-2-amine Investigative 45493316 C17H20N6O3 356.4 COC1=C(C=C(C=C1)NC2=NC3=C(C(=N2)N4CCOCC4)NC=N3)OC IC50 = 62000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BJ3X7A 1,2,4-Oxadiazole Analogue 5h Investigative 6326456 C22H24FN4O7P 506.4 C[C@@H](C1=NC(=NO1)CC2=CC=C(C=C2)F)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C IC50 = 72000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BQJ5M6 1,2,4-Oxadiazole Analogue 5c Investigative 6326458 C22H24ClN4O7P 522.9 C[C@@H](C1=NC(=NO1)CC2=CC(=CC=C2)Cl)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C IC50 = 61000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BU8V1Y (3R)-1-[[1-[2-[(3-Chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol Investigative 89708625 C23H26ClN7O 452 CC1=C(C2=C(N1C)C=CC(=C2)NC3=NC=CC(=N3)N4C=C(C(=N4)C)CN5CC[C@H](C5)O)Cl IC50 = 73420 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 BUNT46 {4-[({[({[(Carbamoylmethyl-isobutyl-carbamoyl)-methyl]-ethyl-carbamoyl}-methyl)-isobutyl-carbamoyl]-methyl}-hexanoyl-amino)-methyl]-benzyl}-phosphonic acid Investigative 44353421 C32H54N5O8P 667.8 CCCCCC(=O)N(CC1=CC=C(C=C1)CP(=O)(O)O)CC(=O)N(CC(C)C)CC(=O)N(CC)CC(=O)N(CC(C)C)CC(=O)N IC50 = 100000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 D04PEI BMS-509744 Investigative 11467730 C32H41N5O4S2 623.8 CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC IC50 ~ 50000 nM Poor binder T64553 Tyrosine-protein kinase ZAP-70 D0OZ2S Lck inhibitor Investigative 6603792 C23H22N4O 370.4 C1CCC(C1)N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5 IC50 ~ 50000 nM Poor binder