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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159046'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Complement C3


(Homo sapiens (Human))		BDBM50159046
PNG
(Ac-I[CV(1Nal)QDWGAHRC]T | CHEMBL262797)
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](Cc2cccc3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C73H100N20O19S2/c1-8-36(4)59(83-39(7)95)71(110)91-54-33-114-113-32-53(69(108)93-60(38(6)94)72(111)112)90-63(102)47(21-14-24-78-73(75)76)84-66(105)51(27-43-30-77-34-81-43)86-61(100)37(5)82-56(97)31-80-62(101)49(26-42-29-79-46-20-12-11-19-45(42)46)87-67(106)52(28-57(98)99)88-64(103)48(22-23-55(74)96)85-65(104)50(89-70(109)58(35(2)3)92-68(54)107)25-41-17-13-16-40-15-9-10-18-44(40)41/h9-13,15-20,29-30,34-38,47-54,58-60,79,94H,8,14,21-28,31-33H2,1-7H3,(H2,74,96)(H,77,81)(H,80,101)(H,82,97)(H,83,95)(H,84,105)(H,85,104)(H,86,100)(H,87,106)(H,88,103)(H,89,109)(H,90,102)(H,91,110)(H,92,107)(H,93,108)(H,98,99)(H,111,112)(H4,75,76,78)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
PDB

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Similars
Article
PubMed
n/an/a 1.80E+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