BDBM50269082 6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinonitrile::CHEMBL497534
SMILES: N#Cc1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
InChI Key: InChIKey=JPZXODFKBNJWRN-UHFFFAOYSA-N
Data: 5 IC50
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) | BDBM50269082 (6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicot...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 69 | 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) | BDBM50269082 (6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicot...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 821 | 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)) | BDBM50269082 (6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicot...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 112 | 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 | |||||||||||||
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human)) | BDBM50269082 (6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicot...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr | J Med Chem 57: 5074-84 (2014) Article DOI: 10.1021/jm500338n BindingDB Entry DOI: 10.7270/Q27S7Q93 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Smoothened homolog (Mus musculus) | BDBM50269082 (6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicot...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 71 | 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 |