BDBM50342040 1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL1765685
SMILES: COc1ccc(cc1)-c1c(C)c(nn1-c1cccc(Br)c1)C(=O)NC1(CCOCC1)C#N
InChI Key: InChIKey=LXVHOKDHTVTNLJ-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat)) | BDBM50342040 (1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 61.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes | J Med Chem 54: 2961-70 (2011) Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50342040 (1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from CB2 receptor | J Med Chem 54: 2961-70 (2011) Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50342040 (1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from CB1 receptor | J Med Chem 54: 2961-70 (2011) Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS | |||||||||||
More data for this Ligand-Target Pair |