BDBM50295538 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide::CHEMBL564547
SMILES: Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
InChI Key: InChIKey=QTDLNCWVZXZPRJ-UHFFFAOYSA-N
Data: 9 IC50
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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EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human sEH | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epoxide hydrolase 2 (Rattus norvegicus) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of rat sEH | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epoxide hydrolase 1 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human mEH | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Nav1.5 channel | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (Type L) (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Cav 1.2 channel | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of IKr channel | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50295538 (4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W | |||||||||||
More data for this Ligand-Target Pair |