BDBM50260681 4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-phenyl)-pyrazin-2-yl]-thiomorpholine 1,1-dioxide::CHEMBL496091

SMILES: FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=BXHXLZHBDIEPER-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50260681   

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))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50260681 (4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level				Bioorg Med Chem Lett 18: 3376-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.022 BindingDB Entry DOI: 10.7270/Q2QR4Z0T
					More data for this Ligand-Target Pair