BDBM50486109 CHEMBL2203293

SMILES: [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])COC[C@@]1([H])CCC\C=C\c1cc3ccc(OC)cc3nc1O2)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=BWVKIFXNVRCJTL-BMOQNZFVSA-N

Data: 2 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 2 hits for monomerid = 50486109   

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)	BDBM50486109 (CHEMBL2203293) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])COC[C@@]1([H])CCC\C=C\c1cc3ccc(OC)cc3nc1O2)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:25| Show InChI InChI=1S/C41H51N5O10S/c1-3-28-20-41(28,39(49)45-57(51,52)31-15-16-31)44-36(47)33-19-30-21-46(33)38(48)35(24-9-7-8-10-24)43-40(50)56-34-23-54-22-27(34)12-6-4-5-11-26-17-25-13-14-29(53-2)18-32(25)42-37(26)55-30/h3,5,11,13-14,17-18,24,27-28,30-31,33-35H,1,4,6-10,12,15-16,19-23H2,2H3,(H,43,50)(H,44,47)(H,45,49)/b11-5+/t27-,28-,30-,33+,34-,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	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
Genome polyprotein (Hepacivirus C)	BDBM50486109 (CHEMBL2203293) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])COC[C@@]1([H])CCC\C=C\c1cc3ccc(OC)cc3nc1O2)C1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:25| Show InChI InChI=1S/C41H51N5O10S/c1-3-28-20-41(28,39(49)45-57(51,52)31-15-16-31)44-36(47)33-19-30-21-46(33)38(48)35(24-9-7-8-10-24)43-40(50)56-34-23-54-22-27(34)12-6-4-5-11-26-17-25-13-14-29(53-2)18-32(25)42-37(26)55-30/h3,5,11,13-14,17-18,24,27-28,30-31,33-35H,1,4,6-10,12,15-16,19-23H2,2H3,(H,43,50)(H,44,47)(H,45,49)/b11-5+/t27-,28-,30-,33+,34-,35+,41-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	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 A156V 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