BDBM50342055 1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-yl)-5-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL1765821

SMILES: Cc1c(nn(c1-c1cccc(F)c1)-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N

InChI Key: InChIKey=CEKDBOWXFYQVFY-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50342055   

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))	BDBM50342055 (1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) Show SMILES Cc1c(nn(c1-c1cccc(F)c1)-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H20BrFN4O2/c1-15-20(22(30)27-23(14-26)9-11-31-12-10-23)28-29(19-8-3-2-7-18(19)24)21(15)16-5-4-6-17(25)13-16/h2-8,13H,9-12H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	693	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 1 (Homo sapiens (Human))	BDBM50342055 (1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) Show SMILES Cc1c(nn(c1-c1cccc(F)c1)-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H20BrFN4O2/c1-15-20(22(30)27-23(14-26)9-11-31-12-10-23)28-29(19-8-3-2-7-18(19)24)21(15)16-5-4-6-17(25)13-16/h2-8,13H,9-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50342055 (1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...) Show SMILES Cc1c(nn(c1-c1cccc(F)c1)-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H20BrFN4O2/c1-15-20(22(30)27-23(14-26)9-11-31-12-10-23)28-29(19-8-3-2-7-18(19)24)21(15)16-5-4-6-17(25)13-16/h2-8,13H,9-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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