BDBM50253807 CHEMBL462686::N-(Azepan-1-yl)-1-(2,4-dichlorophenyl)-4-methyl-5-(5-(4-methylpent-1-ynyl)thiophen-2-yl)-1H-pyrazole-3-carboxamide

SMILES: CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1

InChI Key: InChIKey=NRXZZIOOVZYSTC-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50253807   

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))	BDBM50253807 (CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...) Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A 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 1 (Homo sapiens (Human))	BDBM50253807 (CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...) Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)	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	14.6	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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50253807 (CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...) Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)	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	688	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))	BDBM50253807 (CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...) Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)	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	4.90	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