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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 = 'BDBM50281775'   
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))
BDBM50281775
PNG
(Ac-RHYINL-(Cha)-TRQRY | CHEMBL414482)
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](CC(C)C)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/C77H121N25O19/c1-7-40(4)60(100-70(116)54(33-43-19-23-47(105)24-20-43)96-67(113)55(35-46-37-86-38-90-46)97-63(109)49(91-42(6)104)16-11-29-87-75(80)81)71(117)98-56(36-59(79)108)68(114)95-53(32-39(2)3)69(115)102-62(45-14-9-8-10-15-45)73(119)101-61(41(5)103)72(118)94-51(18-13-31-89-77(84)85)64(110)93-52(27-28-58(78)107)66(112)92-50(17-12-30-88-76(82)83)65(111)99-57(74(120)121)34-44-21-25-48(106)26-22-44/h19-26,37-41,45,49-57,60-62,103,105-106H,7-18,27-36H2,1-6H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,112)(H,93,110)(H,94,118)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,111)(H,100,116)(H,101,119)(H,102,115)(H,120,121)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 5n/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))
BDBM50281775
PNG
(Ac-RHYINL-(Cha)-TRQRY | CHEMBL414482)
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](CC(C)C)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/C77H121N25O19/c1-7-40(4)60(100-70(116)54(33-43-19-23-47(105)24-20-43)96-67(113)55(35-46-37-86-38-90-46)97-63(109)49(91-42(6)104)16-11-29-87-75(80)81)71(117)98-56(36-59(79)108)68(114)95-53(32-39(2)3)69(115)102-62(45-14-9-8-10-15-45)73(119)101-61(41(5)103)72(118)94-51(18-13-31-89-77(84)85)64(110)93-52(27-28-58(78)107)66(112)92-50(17-12-30-88-76(82)83)65(111)99-57(74(120)121)34-44-21-25-48(106)26-22-44/h19-26,37-41,45,49-57,60-62,103,105-106H,7-18,27-36H2,1-6H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,112)(H,93,110)(H,94,118)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,111)(H,100,116)(H,101,119)(H,102,115)(H,120,121)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t40-,41+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 18n/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