BDBM50253756 CHEMBL461862::N-(Azepan-1-yl)-5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamid::N-(azepan-1-yl)-5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1

InChI Key: InChIKey=GMJBSGFSLCGHEK-UHFFFAOYSA-N

Data: 2 IC50  3 EC50

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 5 hits for monomerid = 50253756   

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))	BDBM50253756 (CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)	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	159	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5397-412 (2008) Article DOI: 10.1021/jm800066v BindingDB Entry DOI: 10.7270/Q24M94BM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50253756 (CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5397-412 (2008) Article DOI: 10.1021/jm800066v BindingDB Entry DOI: 10.7270/Q24M94BM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50253756 (CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)	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	1.10E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity				Bioorg Med Chem Lett 19: 2546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.03.046 BindingDB Entry DOI: 10.7270/Q2TB16SP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50253756 (CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)	PDB 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	1.28E+4	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity				Bioorg Med Chem Lett 19: 2546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.03.046 BindingDB Entry DOI: 10.7270/Q2TB16SP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50253756 (CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)	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	134	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding				J Med Chem 51: 5397-412 (2008) Article DOI: 10.1021/jm800066v BindingDB Entry DOI: 10.7270/Q24M94BM
					More data for this Ligand-Target Pair