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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159070'   
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))		BDBM50159070
PNG
(Ac-I[CVVdQDWGHHRC]-NH2 | CHEMBL413870)
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](Cc2cnc[nH]2)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](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C64H94N22O16S2/c1-8-32(6)52(76-33(7)87)63(102)84-46-27-104-103-26-45(53(66)92)83-55(94)39(14-11-17-71-64(67)68)78-58(97)43(20-36-24-70-29-75-36)81-57(96)42(19-35-23-69-28-74-35)77-48(89)25-73-54(93)41(18-34-22-72-38-13-10-9-12-37(34)38)80-59(98)44(21-49(90)91)82-56(95)40(15-16-47(65)88)79-61(100)50(30(2)3)86-62(101)51(31(4)5)85-60(46)99/h9-10,12-13,22-24,28-32,39-46,50-52,72H,8,11,14-21,25-27H2,1-7H3,(H2,65,88)(H2,66,92)(H,69,74)(H,70,75)(H,73,93)(H,76,87)(H,77,89)(H,78,97)(H,79,100)(H,80,98)(H,81,96)(H,82,95)(H,83,94)(H,84,102)(H,85,99)(H,86,101)(H,90,91)(H4,67,68,71)/t32-,39-,40+,41-,42-,43+,44+,45-,46-,50+,51-,52-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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