BDBM50461553 CHEMBL4228282

SMILES: CC[C@@H](COC)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=MTBDXMMFZOUHMX-YKNKOTHSSA-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 = 50461553   

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)	BDBM50461553 (CHEMBL4228282) Show SMILES CC[C@@H](COC)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/C36H50N6O9S/c1-8-22-18-36(22,33(45)41-52(47,48)26-11-12-26)40-30(43)28-17-25(51-31-27-13-10-24(50-7)16-21(27)14-15-37-31)19-42(28)32(44)29(35(3,4)5)39-34(46)38-23(9-2)20-49-6/h8,10,13-16,22-23,25-26,28-29H,1,9,11-12,17-20H2,2-7H3,(H,40,43)(H,41,45)(H2,38,39,46)/t22-,23+,25-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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)	BDBM50461553 (CHEMBL4228282) Show SMILES CC[C@@H](COC)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/C36H50N6O9S/c1-8-22-18-36(22,33(45)41-52(47,48)26-11-12-26)40-30(43)28-17-25(51-31-27-13-10-24(50-7)16-21(27)14-15-37-31)19-42(28)32(44)29(35(3,4)5)39-34(46)38-23(9-2)20-49-6/h8,10,13-16,22-23,25-26,28-29H,1,9,11-12,17-20H2,2-7H3,(H,40,43)(H,41,45)(H2,38,39,46)/t22-,23+,25-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	171	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)	BDBM50461553 (CHEMBL4228282) Show SMILES CC[C@@H](COC)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/C36H50N6O9S/c1-8-22-18-36(22,33(45)41-52(47,48)26-11-12-26)40-30(43)28-17-25(51-31-27-13-10-24(50-7)16-21(27)14-15-37-31)19-42(28)32(44)29(35(3,4)5)39-34(46)38-23(9-2)20-49-6/h8,10,13-16,22-23,25-26,28-29H,1,9,11-12,17-20H2,2-7H3,(H,40,43)(H,41,45)(H2,38,39,46)/t22-,23+,25-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	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