Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50269042'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Smoothened homolog (Mus musculus)	BDBM50269042 (1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piper...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mous...				J Med Chem 52: 3954-68 (2009) Article DOI: 10.1021/jm900309j BindingDB Entry DOI: 10.7270/Q2CN73T7
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50269042 (1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piper...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from huma...				J Med Chem 52: 3954-68 (2009) Article DOI: 10.1021/jm900309j BindingDB Entry DOI: 10.7270/Q2CN73T7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50269042 (1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piper...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluor...				J Med Chem 52: 3954-68 (2009) Article DOI: 10.1021/jm900309j BindingDB Entry DOI: 10.7270/Q2CN73T7
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50269042 (1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piper...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H22F3N5/c26-25(27,28)19-10-11-23(29-17-19)32-12-14-33(15-13-32)24-21-9-5-4-8-20(21)22(30-31-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluo...				J Med Chem 52: 3954-68 (2009) Article DOI: 10.1021/jm900309j BindingDB Entry DOI: 10.7270/Q2CN73T7
					More data for this Ligand-Target Pair