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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159043'   
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))		BDBM50159043
PNG
(Ac-I[CV(2Nal)QDWGAHRC]T-NH2 | CHEMBL427664)
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](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C73H101N21O18S2/c1-8-36(4)59(84-39(7)96)72(112)92-54-33-114-113-32-53(70(110)94-60(38(6)95)61(75)101)91-64(104)47(18-13-23-79-73(76)77)85-67(107)51(27-44-30-78-34-82-44)87-62(102)37(5)83-56(98)31-81-63(103)50(26-43-29-80-46-17-12-11-16-45(43)46)88-68(108)52(28-57(99)100)89-65(105)48(21-22-55(74)97)86-66(106)49(90-71(111)58(35(2)3)93-69(54)109)25-40-19-20-41-14-9-10-15-42(41)24-40/h9-12,14-17,19-20,24,29-30,34-38,47-54,58-60,80,95H,8,13,18,21-23,25-28,31-33H2,1-7H3,(H2,74,97)(H2,75,101)(H,78,82)(H,81,103)(H,83,98)(H,84,96)(H,85,107)(H,86,106)(H,87,102)(H,88,108)(H,89,105)(H,90,111)(H,91,104)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,76,77,79)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
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Similars
Article
PubMed
n/an/a 500n/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