Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50268550'   

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)	BDBM50268550 (6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]n...) Show SMILES N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	153	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 (Mus musculus)	BDBM50268550 (6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]n...) Show SMILES N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	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 (Homo sapiens (Human))	BDBM50268550 (6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]n...) Show SMILES N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	391	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)	BDBM50268550 (6-[4-(4-Benzylphthalazin-1-yl)[1,4]diazepan-1-yl]n...) Show SMILES N#Cc1ccc(nc1)N1CCCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H24N6/c27-18-21-11-12-25(28-19-21)31-13-6-14-32(16-15-31)26-23-10-5-4-9-22(23)24(29-30-26)17-20-7-2-1-3-8-20/h1-5,7-12,19H,6,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+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