Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50267582'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of methanandamide-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from rat recombinant CB1R expressed in CHO cells				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H] SR141716 from rat recombinant CB1R expressed in CHO cells				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267582 ((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair