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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159047'   
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))		BDBM50159047
PNG
(Ac-I[CVWQDWG(Abu)HRC]T-NH2 | CHEMBL414282)
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(CC)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](Cc2c[nH]c3ccccc23)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/C72H101N21O19S2/c1-8-35(5)58(82-37(7)95)70(110)91-53-32-114-113-31-52(68(108)93-59(36(6)94)71(111)112)90-62(102)46(19-14-22-77-72(74)75)84-65(105)50(25-40-29-76-33-81-40)87-61(101)43(9-2)83-55(97)30-80-60(100)48(23-38-27-78-44-17-12-10-15-41(38)44)86-66(106)51(26-56(98)99)88-63(103)47(20-21-54(73)96)85-64(104)49(89-69(109)57(34(3)4)92-67(53)107)24-39-28-79-45-18-13-11-16-42(39)45/h10-13,15-18,27-29,33-36,43,46-53,57-59,78-79,94H,8-9,14,19-26,30-32H2,1-7H3,(H2,73,96)(H,76,81)(H,80,100)(H,82,95)(H,83,97)(H,84,105)(H,85,104)(H,86,106)(H,87,101)(H,88,103)(H,89,109)(H,90,102)(H,91,110)(H,92,107)(H,93,108)(H,98,99)(H,111,112)(H4,74,75,77)/t35-,36+,43?,46+,47-,48-,49+,50-,51+,52+,53-,57-,58-,59-/m0/s1
PDB

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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