BDBM50023579 CHEMBL3326830

SMILES: [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1

InChI Key: InChIKey=BMNTUTYNHUYXRO-NTUMXORWSA-N

Data: 1 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 1 hit for monomerid = 50023579   

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)	BDBM50023579 (CHEMBL3326830) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair