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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159065'   
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))		BDBM50159065
PNG
(Ac-I[CVdWQDWGAHRC]I-NH2 | CHEMBL411923)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C73H104N22O17S2/c1-9-36(5)59(61(75)101)95-70(110)53-32-113-114-33-54(93-72(112)60(37(6)10-2)85-39(8)96)69(109)94-58(35(3)4)71(111)91-50(25-41-29-81-46-19-14-12-17-44(41)46)66(106)87-48(21-22-55(74)97)65(105)90-52(27-57(99)100)68(108)89-49(24-40-28-80-45-18-13-11-16-43(40)45)63(103)82-31-56(98)84-38(7)62(102)88-51(26-42-30-78-34-83-42)67(107)86-47(64(104)92-53)20-15-23-79-73(76)77/h11-14,16-19,28-30,34-38,47-54,58-60,80-81H,9-10,15,20-27,31-33H2,1-8H3,(H2,74,97)(H2,75,101)(H,78,83)(H,82,103)(H,84,98)(H,85,96)(H,86,107)(H,87,106)(H,88,102)(H,89,108)(H,90,105)(H,91,111)(H,92,104)(H,93,112)(H,94,109)(H,95,110)(H,99,100)(H4,76,77,79)/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>1.00E+6n/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