BDBM50147009 5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexyl-1H-[1,2,4]triazole::CHEMBL328379

SMILES: CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=USJFDADYVUDVAX-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50147009   

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))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	748	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-55212-2 radioligand from cannabinoid receptor 1 in rat cerebellar membrane				J Med Chem 47: 2939-42 (2004) Article DOI: 10.1021/jm031099y BindingDB Entry DOI: 10.7270/Q2DV1KNW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	829	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	856	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Ability to displace [3H]SR-141,716A radioligand from cannabinoid receptor 1 in rat cerebellar membrane				J Med Chem 47: 2939-42 (2004) Article DOI: 10.1021/jm031099y BindingDB Entry DOI: 10.7270/Q2DV1KNW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis				Bioorg Med Chem 21: 1708-16 (2013) Article DOI: 10.1016/j.bmc.2013.01.055 BindingDB Entry DOI: 10.7270/Q2MG7QW1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Inverse agonist activity at rat CB1 receptor				Bioorg Med Chem Lett 23: 4751-60 (2013) Article DOI: 10.1016/j.bmcl.2013.06.066 BindingDB Entry DOI: 10.7270/Q2VH5QFZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50147009 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...) Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor				Bioorg Med Chem Lett 23: 4751-60 (2013) Article DOI: 10.1016/j.bmcl.2013.06.066 BindingDB Entry DOI: 10.7270/Q2VH5QFZ
					More data for this Ligand-Target Pair