BDBM50486090 CHEMBL2203882

SMILES: [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC

InChI Key: InChIKey=RKXAXJJYZWSYOP-WLYJSVRDSA-N

Data: 3 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 3 hits for monomerid = 50486090   

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)	BDBM50486090 (CHEMBL2203882) Show SMILES [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-6-25-20-42(25,39(50)46-58(52,53)27-12-13-27)45-37(48)32-15-26-21-47(32)38(49)36(23-10-8-9-11-23)44-40(51)56-22-41(3,4)19-24-14-28(24)29-16-30-31(17-33(29)54-5)43-35(55-7-2)18-34(30)57-26/h6,16-18,23-28,32,36H,1,7-15,19-22H2,2-5H3,(H,44,51)(H,45,48)(H,46,50)/t24-,25+,26+,28-,32-,36-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	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 D168V 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)	BDBM50486090 (CHEMBL2203882) Show SMILES [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-6-25-20-42(25,39(50)46-58(52,53)27-12-13-27)45-37(48)32-15-26-21-47(32)38(49)36(23-10-8-9-11-23)44-40(51)56-22-41(3,4)19-24-14-28(24)29-16-30-31(17-33(29)54-5)43-35(55-7-2)18-34(30)57-26/h6,16-18,23-28,32,36H,1,7-15,19-22H2,2-5H3,(H,44,51)(H,45,48)(H,46,50)/t24-,25+,26+,28-,32-,36-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	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)	BDBM50486090 (CHEMBL2203882) Show SMILES [H][C@@]12C[C@]1([H])c1cc3c(O[C@]4([H])C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)cc(OCC)nc3cc1OC |r| Show InChI InChI=1S/C42H55N5O10S/c1-6-25-20-42(25,39(50)46-58(52,53)27-12-13-27)45-37(48)32-15-26-21-47(32)38(49)36(23-10-8-9-11-23)44-40(51)56-22-41(3,4)19-24-14-28(24)29-16-30-31(17-33(29)54-5)43-35(55-7-2)18-34(30)57-26/h6,16-18,23-28,32,36H,1,7-15,19-22H2,2-5H3,(H,44,51)(H,45,48)(H,46,50)/t24-,25+,26+,28-,32-,36-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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