BDBM50174448 (11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-diaza-bicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxylic acid [1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide::CHEMBL364657

SMILES: CCCC(NC(=O)[C@@H]1Cc2cccc(OCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=DMCWXUVMVDDSKC-VBFOVWDISA-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 = 50174448   

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)	BDBM50174448 ((11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-dia...) Show SMILES CCCC(NC(=O)[C@@H]1Cc2cccc(OCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H58N6O8/c1-4-16-32(38(51)41(54)43-27-35(50)47-37(42(55)48(2)3)30-20-11-8-12-21-30)44-39(52)33-26-28-17-15-22-31(25-28)56-24-14-6-5-13-23-34(49)46-36(40(53)45-33)29-18-9-7-10-19-29/h8,11-12,15,17,20-22,25,29,32-33,36-37H,4-7,9-10,13-14,16,18-19,23-24,26-27H2,1-3H3,(H,43,54)(H,44,52)(H,45,53)(H,46,49)(H,47,50)/t32?,33-,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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 for HCV NS3 protease measured by HCV continuous assay				J Med Chem 48: 6229-35 (2005) Article DOI: 10.1021/jm050323b BindingDB Entry DOI: 10.7270/Q2XW4JC1
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