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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50091668'   
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 Y receptor type 2


(Homo sapiens (Human))
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RAT)
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.910n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short circuit current (SCC) method.


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]GTPgammaS incorporation assay


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair