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BDBM50295543 CHEMBL564757::N-(2-phenylcyclopropyl)-4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

SMILES: O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1

InChI Key: InChIKey=VJCACPMAAVZCPB-UHFFFAOYNA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50295543   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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PubMed
n/an/a 7n/an/an/an/an/an/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)
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 10n/an/an/an/an/an/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 hydratase


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 13n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a>1.00E+5n/an/an/an/an/an/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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a>1.00E+4n/an/an/an/an/an/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 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/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))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 2.00E+3n/an/an/an/an/an/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 2C9


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a>1.00E+4n/an/an/an/an/an/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