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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NPY2R' and Ligand = 'BDBM50091663'   
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
NPY2R


(RAT)
BDBM50091663
PNG
(CHEMBL214707 | N-alpha-Ac-[Trp30,CH2-NH-35-36]PYY(...)
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](Cc1c[nH]c2ccccc12)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)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C91H140N30O21/c1-45(2)33-64(114-86(140)70(43-122)119-76(130)48(7)108-50(9)124)80(134)110-60(18-13-31-103-90(97)98)79(133)117-68(38-55-41-101-44-107-55)83(137)115-66(36-52-22-26-57(126)27-23-52)82(136)113-65(34-46(3)4)81(135)118-69(39-72(93)128)84(138)116-67(37-53-40-105-59-17-11-10-16-58(53)59)85(139)120-73(47(5)6)87(141)121-74(49(8)123)88(142)112-61(19-14-32-104-91(99)100)78(132)111-62(28-29-71(92)127)77(131)109-54(15-12-30-102-89(95)96)42-106-63(75(94)129)35-51-20-24-56(125)25-21-51/h10-11,16-17,20-27,40-41,44-49,54,60-70,73-74,105-106,122-123,125-126H,12-15,18-19,28-39,42-43H2,1-9H3,(H2,92,127)(H2,93,128)(H2,94,129)(H,101,107)(H,108,124)(H,109,131)(H,110,134)(H,111,132)(H,112,142)(H,113,136)(H,114,140)(H,115,137)(H,116,138)(H,117,133)(H,118,135)(H,119,130)(H,120,139)(H,121,141)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t48-,49+,54-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 0.280n/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