BDBM50023577 CHEMBL3326828

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)C1CC1

InChI Key: InChIKey=QQPKDSKNRBCPLH-JFVDUDGYSA-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 = 50023577   

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)	BDBM50023577 (CHEMBL3326828) 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)C1CC1 |r,c:48,@:7| Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-32(39-26)25-16-29(24-12-13-28(49-4)30(37)31(24)38-25)50-18-22-15-27-33(44)42(3)14-8-6-5-7-9-21-17-36(21,40-35(46)43(22)27)34(45)41-52(47,48)23-10-11-23/h7,9,12-13,16,19-23,27H,5-6,8,10-11,14-15,17-18H2,1-4H3,(H,40,46)(H,41,45)/b9-7-/t21-,22-,27-,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	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