BindingDB logo
myBDB logout

PubMed code 21055936

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417462
PNG
(CHEMBL469696)
Show SMILES O=C(NCc1ccccc1)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c30-24(27-18-20-10-4-1-5-11-20)28-16-17-29-23(19-28)26(32-25(29)31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417464
PNG
(CHEMBL1289677)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c28-23(22-15-9-14-20(25-22)18-10-3-1-4-11-18)26-21-13-6-5-12-19(21)24(29)27-16-7-2-8-17-27/h1,3-6,9-15H,2,7-8,16-17H2,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417463
PNG
(CHEMBL1289571)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417466
PNG
(CHEMBL1289780)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H24N2O2/c28-24(21-13-9-12-20(18-21)19-10-3-1-4-11-19)26-23-15-6-5-14-22(23)25(29)27-16-7-2-8-17-27/h1,3-6,9-15,18H,2,7-8,16-17H2,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417465
PNG
(CHEMBL1289678)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O2S/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50331943
PNG
(5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-d...)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417469
PNG
(CHEMBL1289891)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1CCn2c(ccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C25H25N3O2/c29-24(26-15-7-2-8-16-26)20-11-5-6-12-22(20)28-18-17-27-21(13-14-23(27)25(28)30)19-9-3-1-4-10-19/h1,3-6,9-14H,2,7-8,15-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417468
PNG
(CHEMBL1289890)
Show SMILES O=C(N1CCCCC1)c1ccccc1N1CCCn2c(ccc2C1=O)-c1ccccc1
Show InChI InChI=1S/C26H27N3O2/c30-25(27-16-7-2-8-17-27)21-12-5-6-13-23(21)29-19-9-18-28-22(14-15-24(28)26(29)31)20-10-3-1-4-11-20/h1,3-6,10-15H,2,7-9,16-19H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50417467
PNG
(CHEMBL1289781)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c27-22(21-14-13-19(24-21)17-9-3-1-4-10-17)25-20-12-6-5-11-18(20)23(28)26-15-7-2-8-16-26/h1,3-6,9-14,24H,2,7-8,15-16H2,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intra...

Bioorg Med Chem Lett 20: 7308-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.067
BindingDB Entry DOI: 10.7270/Q2N016SP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%