BDBM50243612 CHEMBL4093165

SMILES: Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=OWABCYZIWDJJJE-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50243612   

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 (Homo sapiens (Human))	BDBM50243612 (CHEMBL4093165) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19Cl2F6N3O5S/c1-15-23(25(39)36-17-3-7-19(8-4-17)42-27(33,34)35)37-24(21-11-2-16(28)14-22(21)29)38(15)18-5-9-20(10-6-18)43-44(40,41)13-12-26(30,31)32/h2-11,14H,12-13H2,1H3,(H,36,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243612 (CHEMBL4093165) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19Cl2F6N3O5S/c1-15-23(25(39)36-17-3-7-19(8-4-17)42-27(33,34)35)37-24(21-11-2-16(28)14-22(21)29)38(15)18-5-9-20(10-6-18)43-44(40,41)13-12-26(30,31)32/h2-11,14H,12-13H2,1H3,(H,36,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243612 (CHEMBL4093165) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19Cl2F6N3O5S/c1-15-23(25(39)36-17-3-7-19(8-4-17)42-27(33,34)35)37-24(21-11-2-16(28)14-22(21)29)38(15)18-5-9-20(10-6-18)43-44(40,41)13-12-26(30,31)32/h2-11,14H,12-13H2,1H3,(H,36,39)	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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS bin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243612 (CHEMBL4093165) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19Cl2F6N3O5S/c1-15-23(25(39)36-17-3-7-19(8-4-17)42-27(33,34)35)37-24(21-11-2-16(28)14-22(21)29)38(15)18-5-9-20(10-6-18)43-44(40,41)13-12-26(30,31)32/h2-11,14H,12-13H2,1H3,(H,36,39)	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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS bin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair