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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159042'   
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))		BDBM50159042
PNG
(Ac-I[CVVQdDWGHHRC]-NH2 | CHEMBL273856)
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](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/C68H99N23O19S2/c1-8-33(6)55(80-34(7)92)67(110)89-48-28-112-111-27-47(56(70)99)88-58(101)40(14-11-17-75-68(71)72)82-61(104)44(20-37-25-74-30-79-37)85-60(103)43(19-36-24-73-29-78-36)81-50(94)26-77-57(100)42(18-35-23-76-39-13-10-9-12-38(35)39)84-62(105)46(22-52(97)98)87-63(106)45(21-51(95)96)86-59(102)41(15-16-49(69)93)83-65(108)53(31(2)3)91-66(109)54(32(4)5)90-64(48)107/h9-10,12-13,23-25,29-33,40-48,53-55,76H,8,11,14-22,26-28H2,1-7H3,(H2,69,93)(H2,70,99)(H,73,78)(H,74,79)(H,77,100)(H,80,92)(H,81,94)(H,82,104)(H,83,108)(H,84,105)(H,85,103)(H,86,102)(H,87,106)(H,88,101)(H,89,110)(H,90,107)(H,91,109)(H,95,96)(H,97,98)(H4,71,72,75)/t33-,40+,41-,42+,43+,44-,45-,46-,47+,48-,53+,54-,55-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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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