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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 = 'BDBM50281776'   
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))
BDBM50281776
PNG
(Ac-RHYIN-(Cha)-(Cha)-TRQRY | CHEMBL268351)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)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(O)=O
Show InChI InChI=1S/C79H123N25O19/c1-5-41(2)61(101-70(116)55(35-44-22-26-49(107)27-23-44)97-69(115)56(37-48-39-88-40-92-48)98-65(111)51(93-43(4)106)19-12-32-89-77(82)83)72(118)99-57(38-60(81)110)71(117)103-63(46-15-8-6-9-16-46)75(121)104-64(47-17-10-7-11-18-47)74(120)102-62(42(3)105)73(119)96-53(21-14-34-91-79(86)87)66(112)95-54(30-31-59(80)109)68(114)94-52(20-13-33-90-78(84)85)67(113)100-58(76(122)123)36-45-24-28-50(108)29-25-45/h22-29,39-42,46-47,51-58,61-64,105,107-108H,5-21,30-38H2,1-4H3,(H2,80,109)(H2,81,110)(H,88,92)(H,93,106)(H,94,114)(H,95,112)(H,96,119)(H,97,115)(H,98,111)(H,99,118)(H,100,113)(H,101,116)(H,102,120)(H,103,117)(H,104,121)(H,122,123)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t41-,42+,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human neuropeptide Y2 receptor expressing LN319 cells


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50281776
PNG
(Ac-RHYIN-(Cha)-(Cha)-TRQRY | CHEMBL268351)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)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(O)=O
Show InChI InChI=1S/C79H123N25O19/c1-5-41(2)61(101-70(116)55(35-44-22-26-49(107)27-23-44)97-69(115)56(37-48-39-88-40-92-48)98-65(111)51(93-43(4)106)19-12-32-89-77(82)83)72(118)99-57(38-60(81)110)71(117)103-63(46-15-8-6-9-16-46)75(121)104-64(47-17-10-7-11-18-47)74(120)102-62(42(3)105)73(119)96-53(21-14-34-91-79(86)87)66(112)95-54(30-31-59(80)109)68(114)94-52(20-13-33-90-78(84)85)67(113)100-58(76(122)123)36-45-24-28-50(108)29-25-45/h22-29,39-42,46-47,51-58,61-64,105,107-108H,5-21,30-38H2,1-4H3,(H2,80,109)(H2,81,110)(H,88,92)(H,93,106)(H,94,114)(H,95,112)(H,96,119)(H,97,115)(H,98,111)(H,99,118)(H,100,113)(H,101,116)(H,102,120)(H,103,117)(H,104,121)(H,122,123)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t41-,42+,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-,64-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Y2 receptor of rabbit kidney membrane


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair