BDBM50268611 6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile::CHEMBL497639

SMILES: C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N

InChI Key: InChIKey=AOYORYCIQQUHIQ-LJQANCHMSA-N

Data: 4 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 4 hits for monomerid = 50268611   

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
Smoothened homolog (Mus musculus)	BDBM50268611 (6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperaz...) Show SMILES C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	738	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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50268611 (6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperaz...) Show SMILES C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	217	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)	BDBM50268611 (6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperaz...) Show SMILES C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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)	BDBM50268611 (6-[(R)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperaz...) Show SMILES C[C@@H]1CN(CCN1c1nnc(Cc2ccccc2)c2ccccc12)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	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