BDBM50171305 (S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[16.2.2.1*3,7*]tricosa-1(21),3(23),4,6,18(22),19-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid::CHEMBL373141

SMILES: CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(CCCC(=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=UPCJPVVPQWHYBH-JOJDORDVSA-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 = 50171305   

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)	BDBM50171305 ((S)-(2-{3-[((9S,12S)-12-Cyclohexyl-11,14-dioxo-2-o...) Show SMILES CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(CCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 Show InChI InChI=1S/C43H51N5O9/c1-2-11-33(39(51)42(54)44-26-36(50)48-38(43(55)56)30-16-7-4-8-17-30)45-40(52)34-25-28-13-9-18-32(24-28)57-31-22-20-27(21-23-31)12-10-19-35(49)47-37(41(53)46-34)29-14-5-3-6-15-29/h4,7-9,13,16-18,20-24,29,33-34,37-38H,2-3,5-6,10-12,14-15,19,25-26H2,1H3,(H,44,54)(H,45,52)(H,46,53)(H,47,49)(H,48,50)(H,55,56)/t33-,34-,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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