BindingDB PrimarySearch

BDBM50295547 4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide::CHEMBL552061

SMILES: O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12

InChI Key: InChIKey=HRCSHGYOQCEMTF-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50295547
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid				J Med Chem 52: 5009-12 (2010) Article DOI: 10.1021/jm900725r BindingDB Entry DOI: 10.7270/Q2TX3G8W
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Homo sapiens (Human))	BDBM50295547 (4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair