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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50091675'   
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


(RAT)
BDBM50091675
PNG
(CHEMBL412378 | N-alpha-Ac-[Bip27]PYY(22-36)-NH2)
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(cc1)-c1ccccc1)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/C92H143N29O21/c1-46(2)36-64(115-87(140)70(44-122)119-76(129)50(9)107-52(11)124)81(134)109-60(21-16-34-104-91(98)99)79(132)117-68(41-57-43-102-45-106-57)84(137)116-67(40-53-23-27-56(28-24-53)55-18-13-12-14-19-55)83(136)113-65(37-47(3)4)82(135)118-69(42-72(94)127)85(138)114-66(38-48(5)6)86(139)120-73(49(7)8)88(141)121-74(51(10)123)89(142)111-61(22-17-35-105-92(100)101)77(130)110-62(31-32-71(93)126)80(133)108-59(20-15-33-103-90(96)97)78(131)112-63(75(95)128)39-54-25-29-58(125)30-26-54/h12-14,18-19,23-30,43,45-51,59-70,73-74,122-123,125H,15-17,20-22,31-42,44H2,1-11H3,(H2,93,126)(H2,94,127)(H2,95,128)(H,102,106)(H,107,124)(H,108,133)(H,109,134)(H,110,130)(H,111,142)(H,112,131)(H,113,136)(H,114,138)(H,115,140)(H,116,137)(H,117,132)(H,118,135)(H,119,129)(H,120,139)(H,121,141)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.42n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Tested for the affinity for intestinal PYY from 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))
BDBM50091675
PNG
(CHEMBL412378 | N-alpha-Ac-[Bip27]PYY(22-36)-NH2)
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(cc1)-c1ccccc1)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/C92H143N29O21/c1-46(2)36-64(115-87(140)70(44-122)119-76(129)50(9)107-52(11)124)81(134)109-60(21-16-34-104-91(98)99)79(132)117-68(41-57-43-102-45-106-57)84(137)116-67(40-53-23-27-56(28-24-53)55-18-13-12-14-19-55)83(136)113-65(37-47(3)4)82(135)118-69(42-72(94)127)85(138)114-66(38-48(5)6)86(139)120-73(49(7)8)88(141)121-74(51(10)123)89(142)111-61(22-17-35-105-92(100)101)77(130)110-62(31-32-71(93)126)80(133)108-59(20-15-33-103-90(96)97)78(131)112-63(75(95)128)39-54-25-29-58(125)30-26-54/h12-14,18-19,23-30,43,45-51,59-70,73-74,122-123,125H,15-17,20-22,31-42,44H2,1-11H3,(H2,93,126)(H2,94,127)(H2,95,128)(H,102,106)(H,107,124)(H,108,133)(H,109,134)(H,110,130)(H,111,142)(H,112,131)(H,113,136)(H,114,138)(H,115,140)(H,116,137)(H,117,132)(H,118,135)(H,119,129)(H,120,139)(H,121,141)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14.2n/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