BDBM50253757 CHEMBL462069::N-Butyl-1-(2,4-dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-4-methyl-1H-pyrazole-3-carboxamide
SMILES: CCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl
InChI Key: InChIKey=RYCHPZDRERWDKZ-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 |
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Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50253757 (CHEMBL462069 | N-Butyl-1-(2,4-dichlorophenyl)-5-(5...) | 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 | 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 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)) | BDBM50253757 (CHEMBL462069 | N-Butyl-1-(2,4-dichlorophenyl)-5-(5...) | 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 | 29.8 | 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)) | BDBM50253757 (CHEMBL462069 | N-Butyl-1-(2,4-dichlorophenyl)-5-(5...) | 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 | 638 | 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 |