BDBM50461538 CHEMBL4227401

SMILES: COC[C@H](C)NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C

InChI Key: InChIKey=YSXPOESBGXLPNG-FKPQUEFYSA-N

Data: 3 IC50

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 = 50461538   

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)	BDBM50461538 (CHEMBL4227401) Show SMILES COC[C@H](C)NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C |r| Show InChI InChI=1S/C35H48N6O9S/c1-8-22-17-35(22,32(44)40-51(46,47)25-10-11-25)39-29(42)27-16-24(50-30-26-12-9-23(49-7)15-21(26)13-14-36-30)18-41(27)31(43)28(34(3,4)5)38-33(45)37-20(2)19-48-6/h8-9,12-15,20,22,24-25,27-28H,1,10-11,16-19H2,2-7H3,(H,39,42)(H,40,44)(H2,37,38,45)/t20-,22+,24+,27-,28+,35+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50461538 (CHEMBL4227401) Show SMILES COC[C@H](C)NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C |r| Show InChI InChI=1S/C35H48N6O9S/c1-8-22-17-35(22,32(44)40-51(46,47)25-10-11-25)39-29(42)27-16-24(50-30-26-12-9-23(49-7)15-21(26)13-14-36-30)18-41(27)31(43)28(34(3,4)5)38-33(45)37-20(2)19-48-6/h8-9,12-15,20,22,24-25,27-28H,1,10-11,16-19H2,2-7H3,(H,39,42)(H,40,44)(H2,37,38,45)/t20-,22+,24+,27-,28+,35+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 3a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50461538 (CHEMBL4227401) Show SMILES COC[C@H](C)NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C |r| Show InChI InChI=1S/C35H48N6O9S/c1-8-22-17-35(22,32(44)40-51(46,47)25-10-11-25)39-29(42)27-16-24(50-30-26-12-9-23(49-7)15-21(26)13-14-36-30)18-41(27)31(43)28(34(3,4)5)38-33(45)37-20(2)19-48-6/h8-9,12-15,20,22,24-25,27-28H,1,10-11,16-19H2,2-7H3,(H,39,42)(H,40,44)(H2,37,38,45)/t20-,22+,24+,27-,28+,35+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair