BDBM50243627 CHEMBL4068708

SMILES: Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=JMGFWSMPUFUROT-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 = 50243627   

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))	BDBM50243627 (CHEMBL4068708) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	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))	BDBM50243627 (CHEMBL4068708) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	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))	BDBM50243627 (CHEMBL4068708) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39)	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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243627 (CHEMBL4068708) Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39)	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	0.610	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