BDBM50187934 (7R,9S,12S)-12-cyclohexyl-19-methyl-11,14-dioxo-2,6-dioxa-10,13-diaza-tricyclo[14.3.1.1*7,10*]henicosa-1(19),16(20),17-triene-9-carboxylic acid [1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide::CHEMBL426508

SMILES: CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1ccc(C)c(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=BRKPMEMBZFWHLQ-KGNDJMIISA-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 = 50187934   

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)	BDBM50187934 ((7R,9S,12S)-12-cyclohexyl-19-methyl-11,14-dioxo-2,...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1ccc(C)c(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O9/c1-5-13-32(39(52)41(54)44-25-36(51)47-37(42(55)48(3)4)29-14-8-6-9-15-29)45-40(53)33-24-31-26-49(33)43(56)38(30-16-10-7-11-17-30)46-35(50)23-28-19-18-27(2)34(22-28)58-21-12-20-57-31/h6,8-9,14-15,18-19,22,30-33,37-38H,5,7,10-13,16-17,20-21,23-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t31-,32?,33+,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair