BDBM50260806 CHEMBL497557::N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
SMILES: CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
InChI Key: InChIKey=AWWGUVKCDIOPIQ-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)) | BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.240 | 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 1 (Rattus norvegicus (rat)) | BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.410 | 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 2 (Homo sapiens (Human)) | BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.95E+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)) | BDBM50260806 (CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.540 | 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 |