BDBM50486100 CHEMBL2203890

SMILES: [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)N1CC(C1)(CCCCc1cc3c(O2)cc(OCC)nc3cc1OC)OCC)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=NVQVBMCNJWRJDK-RNNVGSBUSA-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 = 50486100   

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
Genome polyprotein (Hepacivirus C)	BDBM50486100 (CHEMBL2203890) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)N1CC(C1)(CCCCc1cc3c(O2)cc(OCC)nc3cc1OC)OCC)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,wU:3.49,49.56,1.0,wD:47.52,8.43,(17.62,-29.05,;17.09,-30.84,;18.64,-30.82,;19.12,-32.29,;17.89,-33.21,;16.62,-32.3,;17.92,-34.74,;19.27,-35.48,;16.6,-35.54,;15.25,-34.81,;13.9,-35.63,;13.93,-37.22,;12.63,-34.37,;11.12,-34.84,;10.65,-33.33,;12.16,-32.85,;9.25,-32.59,;9.18,-31,;10.48,-30.18,;10.42,-28.65,;11.73,-27.83,;13.09,-28.55,;14.39,-27.73,;15.75,-28.45,;15.81,-29.99,;17.06,-27.62,;17,-26.07,;18.3,-25.24,;19.66,-25.96,;20.97,-25.14,;15.63,-25.37,;14.33,-26.18,;12.97,-25.46,;11.67,-26.28,;10.31,-25.56,;10.26,-24.02,;9.85,-34.7,;8.27,-34.7,;7.47,-36.07,;16.63,-37.08,;15.42,-38.02,;15.93,-39.47,;17.47,-39.43,;17.91,-37.96,;20.46,-33.03,;21.79,-32.24,;20.5,-34.57,;21.85,-35.31,;23.19,-36.05,;21.88,-36.85,;23.14,-37.72,;23.11,-39.26,;23.17,-34.52,;23.13,-32.98,;24.52,-35.26,;25.82,-34.45,;27.36,-34.41,;26.62,-35.76,;25.78,-32.9,;26.51,-31.55,;24.97,-31.6,)| Show InChI InChI=1S/C43H58N6O10S/c1-5-28-22-43(28,40(52)47-60(54,55)30-15-16-30)46-38(50)33-19-29-23-49(33)39(51)37(26-12-8-9-13-26)45-41(53)48-24-42(25-48,58-7-3)17-11-10-14-27-18-31-32(20-34(27)56-4)44-36(57-6-2)21-35(31)59-29/h5,18,20-21,26,28-30,33,37H,1,6-17,19,22-25H2,2-4H3,(H,45,53)(H,46,50)(H,47,52)/t28-,29-,33+,37+,43-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 7207-13 (2012) Article DOI: 10.1016/j.bmcl.2012.09.061 BindingDB Entry DOI: 10.7270/Q28D0041
					More data for this Ligand-Target Pair