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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1590.7
BDBM50003050

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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 1


(Homo sapiens (Human))
BDBM50003050
PNG
(CHEMBL407742 | c(1,30)Glu-Pro-Ala-Tyr-Ile-Asn-Dpr-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@]1(C)NC(=O)CC[C@@H](N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N1)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/C71H111N23O19/c1-8-34(3)53-64(109)88-48(33-51(74)99)62(107)93-71(7,92-52(100)27-24-42(72)67(112)94-30-12-15-49(94)63(108)82-36(5)57(102)87-47(61(106)89-53)32-39-18-22-41(97)23-19-39)68(113)91-54(35(4)9-2)65(110)90-55(37(6)95)66(111)85-44(14-11-29-81-70(78)79)58(103)84-45(25-26-50(73)98)60(105)83-43(13-10-28-80-69(76)77)59(104)86-46(56(75)101)31-38-16-20-40(96)21-17-38/h16-23,34-37,42-49,53-55,95-97H,8-15,24-33,72H2,1-7H3,(H2,73,98)(H2,74,99)(H2,75,101)(H,82,108)(H,83,105)(H,84,103)(H,85,111)(H,86,104)(H,87,102)(H,88,109)(H,89,106)(H,90,110)(H,91,113)(H,92,100)(H,93,107)(H4,76,77,80)(H4,78,79,81)/t34-,35-,36-,37+,42+,43-,44-,45-,46-,47+,48+,49+,53-,54-,55-,71-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of l25I-PYY from Neuropeptide Y receptor type 1 of human neuroblastoma SK-N-MC cells


J Med Chem 35: 3653-9 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ2BK9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50003050
PNG
(CHEMBL407742 | c(1,30)Glu-Pro-Ala-Tyr-Ile-Asn-Dpr-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@]1(C)NC(=O)CC[C@@H](N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N1)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/C71H111N23O19/c1-8-34(3)53-64(109)88-48(33-51(74)99)62(107)93-71(7,92-52(100)27-24-42(72)67(112)94-30-12-15-49(94)63(108)82-36(5)57(102)87-47(61(106)89-53)32-39-18-22-41(97)23-19-39)68(113)91-54(35(4)9-2)65(110)90-55(37(6)95)66(111)85-44(14-11-29-81-70(78)79)58(103)84-45(25-26-50(73)98)60(105)83-43(13-10-28-80-69(76)77)59(104)86-46(56(75)101)31-38-16-20-40(96)21-17-38/h16-23,34-37,42-49,53-55,95-97H,8-15,24-33,72H2,1-7H3,(H2,73,98)(H2,74,99)(H2,75,101)(H,82,108)(H,83,105)(H,84,103)(H,85,111)(H,86,104)(H,87,102)(H,88,109)(H,89,106)(H,90,110)(H,91,113)(H,92,100)(H,93,107)(H4,76,77,80)(H4,78,79,81)/t34-,35-,36-,37+,42+,43-,44-,45-,46-,47+,48+,49+,53-,54-,55-,71-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of l25I-PYY from Neuropeptide Y receptor type 2 of human neuroblastoma SK-N-BE cells


J Med Chem 35: 3653-9 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ2BK9
More data for this
Ligand-Target Pair