Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15439 | Target Info | |||
| Target Name | C5a anaphylatoxin chemotactic receptor (C5AR1) | ||||
| Synonyms |
CD88; C5aR; C5a-R; C5a anaphylatoxin chemotactic receptor 1; C5R1
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|
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| Target Type | Successful Target | ||||
| Gene Name | C5AR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 32 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Pro-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL405966; BDBM50033576
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|
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| Activity |
EC50 = 50000 nM
|
[1] | |||
| Compound Name |
(Tyr65,Phe67)-C5a (65-74) (human)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL406011; YSFKDMQLGR-OH; BDBM50033562; MFCD00798724; Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg; Tyr-Ser-Phe-LyS-Asp-Met-Glu-Leu-Gly-Arg; H-Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg-OH
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|
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| Activity |
EC50 = 50000 nM
|
[1] | |||
| Compound Name |
N-(6-Benzyloxy-4''-chloro-biphenyl-3-yl)-N''-methyl-guanidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL169553; BDBM50291450
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|
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
Ac-L-Phe-L-Lys-L-Pro-3-Cyclohexyl-D-Ala-3-(9H-fluorene-9alpha-yl)-L-Ala-D-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350741
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|
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| Activity |
IC50 = 51000 nM
|
[3] | |||
| Compound Name |
N-(6-Benzyloxy-4''-methoxy-biphenyl-3-yl)-N''-methyl-guanidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL173708; BDBM50291459
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|
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| Activity |
IC50 = 54000 nM
|
[2] | |||
| Compound Name |
Ac-Phe-[Orn-Pro-ala-Trp-Arg]
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL407285; SCHEMBL12971702; BDBM50192067
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|
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| Activity |
IC50 = 55000 nM
|
[4] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-D-Ala-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL429535; BDBM50033563
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|
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| Activity |
EC50 = 57700 nM
|
[1] | |||
| Compound Name |
1,4-Ditosylpiperazine
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|
Investigative | Compound Info | ||
| Synonyms |
1,4-bis-(4-methylphenyl)sulfonylpiperazine; CHEMBL596080; 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine; NSC37244; Oprea1_429495; Oprea1_620190; Piperazine, 1,4-bis[(4-methylphenyl)sulfonyl]-; SCHEMBL10724066; CTK4D3591; LMIXCJFVEQOWSQ-UHFFFAOYSA-; DTXSID00284444; HMS1681F10; ZINC823262; 8745AA; ANW-70917; BDBM50305741; NSC-37244; STK864445; AKOS000668822; MCULE-8306594782; N,N'-BIS(P-TOLUENESULFONYL)PIPERAZINE; Piperazine,4-bis[(4-methylphenyl)sulfonyl]-; ST50216506; 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine #; Piperazine,1,4-bis[(4-methylphenyl)sulfonyl]-
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N-(2-Acetylphenyl)-N,4-dimethylbenzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611350; BDBM50305734
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N-(2-Benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL595824; Oprea1_692068; SCHEMBL11181058; ZINC1231982; BDBM50305732; AKOS024361910; MCULE-8066418342; ST50992617; SR-01000395968; SR-01000395968-1; 5-chloro-2-{methyl[(4-methylphenyl)sulfonyl]amino}phenyl phenyl ketone
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N-(2-Benzoyl-4-bromophenyl)-N,4-dimethylbenzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596055; CBMicro_008234; SMSF0008782; ZINC1189042; BDBM50305733; STK836656; AKOS000669304; MCULE-5780844394; BIM-0008299.P001; ST50230650; SR-01000422783; SR-01000422783-1; BRD-K19284324-001-01-1; F0133-0018; N-[4-bromo-2-(phenylcarbonyl)phenyl]-N,4-dimethylbenzenesulfonamide; 5-bromo-2-{methyl[(4-methylphenyl)sulfonyl]amino}phenyl phenyl ketone
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N,N''-(Propane-1,3-diyl)bis(4-methyl-N-phenylbenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL605416; BDBM50305742
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N-(2-(Indoline-1-carbonyl)phenyl)-N,4-dimethylbenzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL603858; BDBM50305740; ZINC10449294; AKOS004082037
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
N,4-Dimethyl-N-(2-(thiophene-3-carbonyl)phenyl)benzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL604583; BDBM50305731
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
Methyl{2-[methyl(phenylsulfonyl)amino]phenyl}(phenylsulfonyl)amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL593033; TimTec1_006233; MLS001001858; HMS1551L07; ZINC1060705; BDBM50305736; STK734867; AKOS001757261; MCULE-8798406182; SMR000498327; ST058744; N,N'-1,2-phenylenebis(N-methylbenzenesulfonamide); SR-01000294792; SR-01000294792-1; N,N''-(1,2-phenylene)bis(N-methylbenzenesulfonamide); N,N'-(1,2-phenylene)bis(N-methylbenzenesulfonamide); N,N'-benzene-1,2-diylbis(N-methylbenzenesulfonamide); N~1~-methyl-N~1~-{2-[methyl(phenylsulfonyl)amino]phenyl}-1-benzenesulfonamide
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
5,12-Ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]diazocine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL603836; BDBM50305739
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
1,4-Ditosyl-1,2,3,4-tetrahydroquinoxaline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL604584; BDBM50305738
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
[(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL604277; ZINC2573080; BDBM50305737; SBB057090; AKOS024364667; MCULE-3639320640; ST50997002; N,N'-Diallyl-N,N'-ditosyl-1,2-benzenediamine; N,N''-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide)
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
n,n'-1,2-Phenylenebis(n,4-dimethylbenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL595990; NSC101062; Oprea1_370376; CBDivE_001423; DTXSID20295299; ZINC636919; BDBM50305735; AKOS002161609; MCULE-1311888097; NSC-101062; N,N-o-phenylene-bis(p-toluenesulfonamide); ST50036099; p-Toluenesulfonamide,N'-o-phenylenebis[N-methyl-; N,N'-Ditosyl-N,N'-dimethyl-1,2-phenylenediamine; N,N''-(1,2-phenylene)bis(N-methyl-1-phenylmethanesulfonamide)
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|
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| Activity |
EC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
Ile-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL441393; BDBM50008381; H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
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| Activity |
EC50 = 67700 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Gly-Met-Leu-Leu-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL374912; BDBM50033564
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|
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| Activity |
EC50 = 70000 nM
|
[1] | |||
| Compound Name |
H-DPhe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL435810; BDBM50008370
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|
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| Activity |
Ki = 79000 nM
|
[6] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL435318; BDBM50033559
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|
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| Activity |
EC50 = 80000 nM
|
[1] | |||
| Compound Name |
Ac-Phe-[Orn-Pro-cha-Ala-Arg]
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL385012; BDBM50192055
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|
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
N-(3,4-Bis-benzyloxy-phenyl)-guanidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170178; SCHEMBL11595438; BDBM50291454
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Ac-Ile-Ser-His-Lys-Asp-Met-Gln-Leu-Arg-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL413040; BDBM50012296
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|
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| Activity |
Ki = 100000 nM
|
[7] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Leu-Phe-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL438728; BDBM50033561
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|
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| Activity |
EC50 = 114000 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Ala-Pro-Leu-Ala-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL268322; BDBM50033573; Tyr-Ser-Phe-Lys-Asp-Ala-Pro-Leu-D-Ala-Arg
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|
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| Activity |
EC50 = 114000 nM
|
[1] | |||
| Compound Name |
(S)-2-[(S)-2-[(S)-2-({(S)-1-[(S)-6-Amino-2-((S)-2-methylamino-3-phenyl-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL117751; BDBM50066480
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|
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| Activity |
IC50 = 144000 nM
|
[8] | |||
| Compound Name |
Ac-His-lys-asp-met-gln-leu-gly-arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL440421; Hlamglga; CTK0H7682; DTXSID60157908; BDBM50012290; Acetylhistidyl-lysyl-aspartyl-methionyl-glutaminyl-leucyl-glycyl-arginine
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| Activity |
Ki = 150000 nM
|
[7] | |||
| Compound Name |
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-4-methylsulfanyl-butyrylamino]-4-carbamoyl-butyrylamino}-4-methyl-pentanoylamino)-acetylamino]-5-guanidino-pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369501; BDBM50008235
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|
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| Activity |
Ki = 150000 nM
|
[9] | |||
| Compound Name |
H-His(1Me)-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL129978; BDBM50008378
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|
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| Activity |
Ki = 180000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Ala-Pro-Leu-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL427936; BDBM50033566
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|
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| Activity |
EC50 = 207000 nM
|
[1] | |||
| Compound Name |
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-6-aminohexanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369494; BDBM50008226
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|
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| Activity |
Ki = 210000 nM
|
[9] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Ala-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL413642; BDBM50033571
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|
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| Activity |
EC50 = 215000 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Cys-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL386860; BDBM50033572
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|
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| Activity |
EC50 = 224000 nM
|
[1] | |||
| Compound Name |
Ishkdmqlgr
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL217378; BDBM50012295; Ile-Ser-His-Lys-Asp-Met-Gln-Leu-Gly-Arg
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|
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| Activity |
Ki = 300000 nM
|
[7] | |||
| Compound Name |
H-His-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL61726; BDBM50008376
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|
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| Activity |
Ki = 300000 nM
|
[7] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Pro-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL261966; BDBM50033574
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|
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| Activity |
EC50 = 500000 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-Leu-Cys]-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL407045; BDBM50033569
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|
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| Activity |
EC50 = 500000 nM
|
[1] | |||
| Compound Name |
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-cyclohexyl-propionylamino]-3-cyclohexyl-propionylamino}-pentanoylamino)-propionylamino]-5-guanidino-pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350712; CHEMBL2369496; BDBM50008229
Click to Show/Hide
|
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| Activity |
Ki = 600000 nM
|
[9] | |||
| Compound Name |
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-propionylamino]-5-guanidino-pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350719; CHEMBL2369504; BDBM50008227
Click to Show/Hide
|
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| Activity |
Ki = 750000 nM
|
[9] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Ala-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL386427; BDBM50033568
Click to Show/Hide
|
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| Activity |
EC50 = 1000000 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Cys-Pro-Leu-Gly-Arg
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL262653; BDBM50033565
Click to Show/Hide
|
||||
| Activity |
EC50 > 1000000 nM
|
[1] | |||
| Compound Name |
Tyr-Ser-Phe-Lys-Asp-Met-Pro-Ala-D-Ala-Arg
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL412249; BDBM50033560
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|
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| Activity |
EC50 > 1000000 nM
|
[1] | |||
| Compound Name |
L-Ala-L-Lys-L-Pro-3-Cyclohexyl-D-Ala-L-Trp-D-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350736
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|
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| Activity |
IC50 > 1000000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Decapeptide agonists of human C5a: the relationship between conformation and neutrophil response. J Med Chem. 1995 Sep 1;38(18):3669-75. | ||||
| REF 2 | New non peptidic C5a receptor antagonists. Bioorg Med Chem Lett. 1997;7(7):907-12. | ||||
| REF 3 | Low-molecular-weight peptidic and cyclic antagonists of the receptor for the complement factor C5a. J Med Chem. 1999 Jun 3;42(11):1965-74. | ||||
| REF 4 | Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. | ||||
| REF 5 | Identification of a new class of small molecule C5a receptor antagonists. Bioorg Med Chem Lett. 2010 Jan 15;20(2):662-4. | ||||
| REF 6 | Improvements in the minimum binding sequence of C5a: examination of His-67. J Med Chem. 1992 Jan 24;35(2):402-6. | ||||
| REF 7 | Identification and synthesis of a receptor binding site of human anaphylatoxin C5a. J Med Chem. 1991 Jul;34(7):2068-71. | ||||
| REF 8 | Small molecular probes for G-protein-coupled C5a receptors: conformationally constrained antagonists derived from the C terminus of the human plasma protein C5a. J Med Chem. 1998 Aug 27;41(18):3417-25. | ||||
| REF 9 | Structure-function studies in a series of carboxyl-terminal octapeptide analogues of anaphylatoxin C5a. J Med Chem. 1992 Jan 24;35(2):220-3. | ||||
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