BDBM50159068 Ac-I[CV(Bta)QDWGAHRC]T::CHEMBL408836

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(O)=O

InChI Key: InChIKey=JSPKWLRQUPIDRS-NWJDZPOUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50159068   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Complement C3 (Homo sapiens (Human))	BDBM50159068 (Ac-I[CV(Bta)QDWGAHRC]T | CHEMBL408836) 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(O)=O Show InChI InChI=1S/C71H98N20O19S3/c1-9-34(4)56(81-37(7)93)66(106)87-50-31-113-112-30-49(65(105)90-57(36(6)92)68(108)109)86-60(100)44(18-14-22-76-70(73)74)82-62(102)47(24-39-27-75-32-79-39)83-58(98)35(5)80-53(95)28-78-59(99)46(23-38-26-77-43-17-12-10-15-40(38)43)84-63(103)48(25-54(96)97)85-61(101)45(20-21-52(72)94)88-69(110)71(8,42-29-111-51-19-13-11-16-41(42)51)91-67(107)55(33(2)3)89-64(50)104/h10-13,15-17,19,26-27,29,32-36,44-50,55-57,77,92H,9,14,18,20-25,28,30-31H2,1-8H3,(H2,72,94)(H,75,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,98)(H,84,103)(H,85,101)(H,86,100)(H,87,106)(H,88,110)(H,89,104)(H,90,105)(H,91,107)(H,96,97)(H,108,109)(H4,73,74,76)/t34-,35-,36+,44-,45-,46-,47+,48+,49-,50-,55-,56-,57-,71-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/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
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