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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159052'   
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))		BDBM50159052
PNG
(Ac-I[CV(Cha) QDWGAHRC]T | CHEMBL438586)
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](C)N(C2CCCCC2)C(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C69H104N20O19S2/c1-9-34(4)55(79-38(8)91)66(105)86-50-31-110-109-30-49(65(104)88-56(37(7)90)68(107)108)85-60(99)44(20-15-23-74-69(71)72)81-62(101)47(25-40-28-73-32-77-40)82-57(96)35(5)78-52(93)29-76-59(98)46(24-39-27-75-43-19-14-13-18-42(39)43)83-63(102)48(26-53(94)95)84-61(100)45(21-22-51(70)92)80-58(97)36(6)89(41-16-11-10-12-17-41)67(106)54(33(2)3)87-64(50)103/h13-14,18-19,27-28,32-37,41,44-50,54-56,75,90H,9-12,15-17,20-26,29-31H2,1-8H3,(H2,70,92)(H,73,77)(H,76,98)(H,78,93)(H,79,91)(H,80,97)(H,81,101)(H,82,96)(H,83,102)(H,84,100)(H,85,99)(H,86,105)(H,87,103)(H,88,104)(H,94,95)(H,107,108)(H4,71,72,74)/t34-,35-,36+,37+,44-,45-,46-,47+,48+,49-,50-,54-,55-,56-/m0/s1
PDB

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Similars
Article
PubMed
n/an/a 4.78E+4n/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