BDBM50114680 5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid (4-hydroxy-butyl)-amide::CHEMBL90040

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCO

InChI Key: InChIKey=SEPJSDDWJRTZIM-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 = 50114680   

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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114680 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCO Show InChI InChI=1S/C21H20Cl3N3O2/c1-13-19(21(29)25-10-2-3-11-28)26-27(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h4-9,12,28H,2-3,10-11H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114680 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCO Show InChI InChI=1S/C21H20Cl3N3O2/c1-13-19(21(29)25-10-2-3-11-28)26-27(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h4-9,12,28H,2-3,10-11H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50114680 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCO Show InChI InChI=1S/C21H20Cl3N3O2/c1-13-19(21(29)25-10-2-3-11-28)26-27(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h4-9,12,28H,2-3,10-11H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]-CP- 55 940 as radioligand				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair