BDBM50161512 7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one::7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one::7-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)heptan-1-one::CHEMBL178398

SMILES: O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1

InChI Key: InChIKey=BYQFWIOGPFHXFV-UHFFFAOYSA-N

Data: 7 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 12 hits for monomerid = 50161512   

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
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0				J Med Chem 51: 4392-403 (2008) Article DOI: 10.1021/jm800136b BindingDB Entry DOI: 10.7270/Q26D5TW3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of rat FAAH				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of rat FAAH expressed in Escherichia coli				J Med Chem 51: 4392-403 (2008) Article DOI: 10.1021/jm800136b BindingDB Entry DOI: 10.7270/Q26D5TW3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	9.0	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FAAH (unknown origin) at pH 9				Bioorg Med Chem Lett 18: 5847-50 (2008) Article DOI: 10.1016/j.bmcl.2008.06.086 BindingDB Entry DOI: 10.7270/Q2GF0TBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Anandamide amidohydrolase (Mus musculus (mouse))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH expressed in african green monkey COS7 cells				J Med Chem 51: 4392-403 (2008) Article DOI: 10.1021/jm800136b BindingDB Entry DOI: 10.7270/Q26D5TW3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Anandamide amidohydrolase (Mus musculus (mouse))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sn1-specific diacylglycerol lipase alpha (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay				J Med Chem 58: 9742-53 (2015) Article DOI: 10.1021/acs.jmedchem.5b01627 BindingDB Entry DOI: 10.7270/Q2D50QZ9
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of KIAA1363 hydrolase				J Med Chem 51: 4392-403 (2008) Article DOI: 10.1021/jm800136b BindingDB Entry DOI: 10.7270/Q26D5TW3
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology Curated by ChEMBL					Assay Description Inhibition of TGH				J Med Chem 51: 4392-403 (2008) Article DOI: 10.1021/jm800136b BindingDB Entry DOI: 10.7270/Q26D5TW3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50161512 (7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...) Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1 Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair				3D Structure (crystal)