BDBM50370596 CHEMBL1169404

SMILES: CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key: InChIKey=LQMGQGGBJLJMJU-IPAVHTEYSA-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 = 50370596   

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)	BDBM50370596 (CHEMBL1169404) Show SMILES CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C44H52N6O10/c1-3-11-33(39(53)43(57)45-25-36(52)49-38(44(58)59)30-15-8-5-9-16-30)47-40(54)35-24-28-12-10-17-32(22-28)60-31-20-18-27(19-21-31)23-34(46-26(2)51)41(55)50-37(42(56)48-35)29-13-6-4-7-14-29/h5,8-10,12,15-22,29,33-35,37-38H,3-4,6-7,11,13-14,23-25H2,1-2H3,(H,45,57)(H,46,51)(H,47,54)(H,48,56)(H,49,52)(H,50,55)(H,58,59)/t33-,34-,35-,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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 Ability to inhibit the hydrolysis of chromogenic 4-phenylazophenyl ester from the peptide fragment Ac- DTEDVVP(Nva)-O-4-PAP in a HCV protease continu...				J Med Chem 48: 5088-91 (2005) Article DOI: 10.1021/jm0489556 BindingDB Entry DOI: 10.7270/Q2DN45T7
					More data for this Ligand-Target Pair