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BDBM50159054 Ac-I[CV(2Igl)QDWGAHRC]T::CHEMBL445418

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=HDGDWRFDJRCNRO-FUQOBRPNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50159054   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Complement C3


(Homo sapiens (Human))		BDBM50159054
PNG
(Ac-I[CV(2Igl)QDWGAHRC]T | CHEMBL445418)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H100N20O19S2/c1-8-34(4)56(81-37(7)93)68(107)88-51-31-112-111-30-50(66(105)90-57(36(6)92)70(109)110)87-61(100)45(18-13-23-76-71(73)74)82-63(102)48(25-40-28-75-32-79-40)84-59(98)35(5)80-53(95)29-78-60(99)47(24-39-27-77-44-17-12-11-16-42(39)44)85-64(103)49(26-54(96)97)86-62(101)46(21-22-52(72)94)83-69(108)58(43-20-19-38-14-9-10-15-41(38)43)91-67(106)55(33(2)3)89-65(51)104/h9-12,14-17,27-28,32-36,43,45-51,55-58,77,92H,8,13,18-26,29-31H2,1-7H3,(H2,72,94)(H,75,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,108)(H,84,98)(H,85,103)(H,86,101)(H,87,100)(H,88,107)(H,89,104)(H,90,105)(H,91,106)(H,96,97)(H,109,110)(H4,73,74,76)/t34-,35-,36+,43?,45-,46-,47-,48+,49+,50-,51-,55-,56-,57-,58-/m0/s1
PDB

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UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation

J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
BindingDB Entry DOI: 10.7270/Q2DR2W81
More data for this
Ligand-Target Pair