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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159049'   
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))		BDBM50159049
PNG
(Ac-I[CV(Bta)QDWGAHRC]T-NH2 | CHEMBL439706)
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@@](C)(NC(=O)[C@@H](NC1=O)C(C)C)c1csc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C71H99N21O18S3/c1-9-34(4)56(82-37(7)94)67(108)88-50-31-113-112-30-49(66(107)91-57(36(6)93)58(73)99)87-61(102)44(18-14-22-77-70(74)75)83-63(104)47(24-39-27-76-32-80-39)84-59(100)35(5)81-53(96)28-79-60(101)46(23-38-26-78-43-17-12-10-15-40(38)43)85-64(105)48(25-54(97)98)86-62(103)45(20-21-52(72)95)89-69(110)71(8,42-29-111-51-19-13-11-16-41(42)51)92-68(109)55(33(2)3)90-65(50)106/h10-13,15-17,19,26-27,29,32-36,44-50,55-57,78,93H,9,14,18,20-25,28,30-31H2,1-8H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,100)(H,85,105)(H,86,103)(H,87,102)(H,88,108)(H,89,110)(H,90,106)(H,91,107)(H,92,109)(H,97,98)(H4,74,75,77)/t34-,35-,36+,44-,45-,46-,47+,48+,49-,50-,55-,56-,57-,71-/m0/s1
PDB

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Similars
Article
PubMed
n/an/a 800n/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