BDBM50111037 Azapeptide::CHEMBL267166

SMILES: CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(=O)OCC

InChI Key: InChIKey=RVVJADZROFIWOK-POVHYMBBSA-N

Data: 1 KI

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 = 50111037   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50111037 (Azapeptide | CHEMBL267166) Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(=O)OCC Show InChI InChI=1S/C41H65N9O18/c1-9-15-50(40(66)41(67)68-10-2)48-36(62)26-12-11-16-49(26)39(65)31(20(5)6)46-37(63)30(19(3)4)45-35(61)25(18-29(57)58)44-33(59)23(13-14-27(53)54)43-38(64)32(21(7)51)47-34(60)24(17-28(55)56)42-22(8)52/h19-21,23-26,30-32,51H,9-18H2,1-8H3,(H,42,52)(H,43,64)(H,44,59)(H,45,61)(H,46,63)(H,47,60)(H,48,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 1005-8 (2002) BindingDB Entry DOI: 10.7270/Q2NS0T62
					More data for this Ligand-Target Pair