BDBM50037466 CHEMBL3356709

SMILES: CCC[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(n2)-c2ccccc2)c(C=C)c1)C(=O)NS(=O)(=O)CCCC=C

InChI Key: InChIKey=WABPWGDKPXKISU-DOKIROKCSA-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 = 50037466   

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
Nonstructural protein NS3-4A (Hepatitis C virus)	BDBM50037466 (CHEMBL3356709) Show SMILES CCC[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(n2)-c2ccccc2)c(C=C)c1)C(=O)NS(=O)(=O)CCCC=C |r| Show InChI InChI=1S/C42H54N6O9S/c1-9-13-18-25-58(53,54)48-38(49)31(19-11-3)43-39(50)35(46-40(51)36(42(5,6)7)47-41(52)56-24-14-10-2)30-22-23-32(28(12-4)26-30)57-34-27-33(55-8)44-37(45-34)29-20-16-15-17-21-29/h9-10,12,15-17,20-23,26-27,31,35-36H,1-2,4,11,13-14,18-19,24-25H2,3,5-8H3,(H,43,50)(H,46,51)(H,47,52)(H,48,49)/t31-,35?,36+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Nonstructural protein NS3-4A (Hepatitis C virus)	BDBM50037466 (CHEMBL3356709) Show SMILES CCC[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(n2)-c2ccccc2)c(C=C)c1)C(=O)NS(=O)(=O)CCCC=C |r| Show InChI InChI=1S/C42H54N6O9S/c1-9-13-18-25-58(53,54)48-38(49)31(19-11-3)43-39(50)35(46-40(51)36(42(5,6)7)47-41(52)56-24-14-10-2)30-22-23-32(28(12-4)26-30)57-34-27-33(55-8)44-37(45-34)29-20-16-15-17-21-29/h9-10,12,15-17,20-23,26-27,31,35-36H,1-2,4,11,13-14,18-19,24-25H2,3,5-8H3,(H,43,50)(H,46,51)(H,47,52)(H,48,49)/t31-,35?,36+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair