BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1965.2
BDBM50091660

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

Found 3 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 2


(RAT)
BDBM50091660
PNG
(CHEMBL429698 | N-alpha-Ac-[Nal27]PYY(22-36)-NH2(N-...)
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](Cc1cccc2ccccc12)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/C90H141N29O21/c1-44(2)34-62(113-85(138)68(42-120)117-74(127)48(9)105-50(11)122)79(132)107-58(23-16-32-102-89(96)97)77(130)115-66(39-54-41-100-43-104-54)82(135)114-65(38-53-20-14-19-52-18-12-13-21-56(52)53)81(134)111-63(35-45(3)4)80(133)116-67(40-70(92)125)83(136)112-64(36-46(5)6)84(137)118-71(47(7)8)86(139)119-72(49(10)121)87(140)109-59(24-17-33-103-90(98)99)75(128)108-60(29-30-69(91)124)78(131)106-57(22-15-31-101-88(94)95)76(129)110-61(73(93)126)37-51-25-27-55(123)28-26-51/h12-14,18-21,25-28,41,43-49,57-68,71-72,120-121,123H,15-17,22-24,29-40,42H2,1-11H3,(H2,91,124)(H2,92,125)(H2,93,126)(H,100,104)(H,105,122)(H,106,131)(H,107,132)(H,108,128)(H,109,140)(H,110,129)(H,111,134)(H,112,136)(H,113,138)(H,114,135)(H,115,130)(H,116,133)(H,117,127)(H,118,137)(H,119,139)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t48-,49+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-,72-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.60n/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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091660
PNG
(CHEMBL429698 | N-alpha-Ac-[Nal27]PYY(22-36)-NH2(N-...)
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](Cc1cccc2ccccc12)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/C90H141N29O21/c1-44(2)34-62(113-85(138)68(42-120)117-74(127)48(9)105-50(11)122)79(132)107-58(23-16-32-102-89(96)97)77(130)115-66(39-54-41-100-43-104-54)82(135)114-65(38-53-20-14-19-52-18-12-13-21-56(52)53)81(134)111-63(35-45(3)4)80(133)116-67(40-70(92)125)83(136)112-64(36-46(5)6)84(137)118-71(47(7)8)86(139)119-72(49(10)121)87(140)109-59(24-17-33-103-90(98)99)75(128)108-60(29-30-69(91)124)78(131)106-57(22-15-31-101-88(94)95)76(129)110-61(73(93)126)37-51-25-27-55(123)28-26-51/h12-14,18-21,25-28,41,43-49,57-68,71-72,120-121,123H,15-17,22-24,29-40,42H2,1-11H3,(H2,91,124)(H2,92,125)(H2,93,126)(H,100,104)(H,105,122)(H,106,131)(H,107,132)(H,108,128)(H,109,140)(H,110,129)(H,111,134)(H,112,136)(H,113,138)(H,114,135)(H,115,130)(H,116,133)(H,117,127)(H,118,137)(H,119,139)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t48-,49+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-,72-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.08n/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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50091660
PNG
(CHEMBL429698 | N-alpha-Ac-[Nal27]PYY(22-36)-NH2(N-...)
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](Cc1cccc2ccccc12)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/C90H141N29O21/c1-44(2)34-62(113-85(138)68(42-120)117-74(127)48(9)105-50(11)122)79(132)107-58(23-16-32-102-89(96)97)77(130)115-66(39-54-41-100-43-104-54)82(135)114-65(38-53-20-14-19-52-18-12-13-21-56(52)53)81(134)111-63(35-45(3)4)80(133)116-67(40-70(92)125)83(136)112-64(36-46(5)6)84(137)118-71(47(7)8)86(139)119-72(49(10)121)87(140)109-59(24-17-33-103-90(98)99)75(128)108-60(29-30-69(91)124)78(131)106-57(22-15-31-101-88(94)95)76(129)110-61(73(93)126)37-51-25-27-55(123)28-26-51/h12-14,18-21,25-28,41,43-49,57-68,71-72,120-121,123H,15-17,22-24,29-40,42H2,1-11H3,(H2,91,124)(H2,92,125)(H2,93,126)(H,100,104)(H,105,122)(H,106,131)(H,107,132)(H,108,128)(H,109,140)(H,110,129)(H,111,134)(H,112,136)(H,113,138)(H,114,135)(H,115,130)(H,116,133)(H,117,127)(H,118,137)(H,119,139)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t48-,49+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-,72-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 88.3n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair