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
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...) | 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...) | 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...) | 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...) | 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 |