BDBM92631 (3R)-3-{[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide, 7

SMILES: CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(Oc2ccccc2)c1F

InChI Key: InChIKey=DXPCUPMRYIXTFI-WBMJQRKESA-N

Data: 1 Kd

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 = 92631   

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
NS3 Protein (Hepatitis C virus)	BDBM92631 ((3R)-3-{[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl...) Show SMILES CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(Oc2ccccc2)c1F |r| Show InChI InChI=1S/C19H22ClFN2O2/c1-3-16(23-12(2)11-17(22)24)14-9-10-15(20)19(18(14)21)25-13-7-5-4-6-8-13/h4-10,12,16,23H,3,11H2,1-2H3,(H2,22,24)/t12-,16+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair