BDBM50159057 Ac-I[CV(2Igl)QDWGAHRC]T-NH2::CHEMBL437270

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@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=YYPFHDDBPCSRKO-FUQOBRPNSA-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 = 50159057   

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))	BDBM50159057 (Ac-I[CV(2Igl)QDWGAHRC]T-NH2 | CHEMBL437270) 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@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C71H101N21O18S2/c1-8-34(4)56(82-37(7)94)69(109)89-51-31-112-111-30-50(67(107)91-57(36(6)93)59(73)99)88-62(102)45(18-13-23-77-71(74)75)83-64(104)48(25-40-28-76-32-80-40)85-60(100)35(5)81-53(96)29-79-61(101)47(24-39-27-78-44-17-12-11-16-42(39)44)86-65(105)49(26-54(97)98)87-63(103)46(21-22-52(72)95)84-70(110)58(43-20-19-38-14-9-10-15-41(38)43)92-68(108)55(33(2)3)90-66(51)106/h9-12,14-17,27-28,32-36,43,45-51,55-58,78,93H,8,13,18-26,29-31H2,1-7H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,110)(H,85,100)(H,86,105)(H,87,103)(H,88,102)(H,89,109)(H,90,106)(H,91,107)(H,92,108)(H,97,98)(H4,74,75,77)/t34-,35-,36+,43?,45-,46-,47-,48+,49+,50-,51-,55-,56-,57-,58-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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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