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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50159066'   
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))		BDBM50159066
PNG
(Ac-I[CVSQDWGHHRC]T-NH2 | CHEMBL415619)
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](CO)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C66H97N23O19S2/c1-7-31(4)52(78-33(6)92)65(108)87-47-27-110-109-26-46(63(106)89-53(32(5)91)54(68)97)86-56(99)39(13-10-16-73-66(69)70)80-59(102)43(19-36-23-72-29-77-36)83-58(101)42(18-35-22-71-28-76-35)79-49(94)24-75-55(98)41(17-34-21-74-38-12-9-8-11-37(34)38)82-60(103)44(20-50(95)96)84-57(100)40(14-15-48(67)93)81-61(104)45(25-90)85-64(107)51(30(2)3)88-62(47)105/h8-9,11-12,21-23,28-32,39-47,51-53,74,90-91H,7,10,13-20,24-27H2,1-6H3,(H2,67,93)(H2,68,97)(H,71,76)(H,72,77)(H,75,98)(H,78,92)(H,79,94)(H,80,102)(H,81,104)(H,82,103)(H,83,101)(H,84,100)(H,85,107)(H,86,99)(H,87,108)(H,88,105)(H,89,106)(H,95,96)(H4,69,70,73)/t31-,32+,39-,40-,41-,42-,43+,44+,45+,46-,47-,51-,52-,53-/m0/s1
PDB

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Similars
Article
PubMed
n/an/a 6.00E+3n/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