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BDBM50091674 CHEMBL412698::N-alpha-Ac-[D-Trp30]PYY(22-36)-NH2(N-alpha-Ac-ASLAHYLNWVTRQRY-NH2)::N-alpha-Ac-[Trp30]PYY(22-36)-NH2

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)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=KEDRBXUCOAMDMD-HFSMTEEUSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50091674   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50091674
PNG
(CHEMBL412698 | N-alpha-Ac-[D-Trp30]PYY(22-36)-NH2(...)
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)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C91H138N30O22/c1-44(2)33-63(114-86(141)69(42-122)119-75(130)47(7)107-49(9)124)80(135)109-59(18-13-31-103-90(97)98)78(133)117-67(38-53-41-101-43-106-53)83(138)115-65(36-51-22-26-55(126)27-23-51)82(137)113-64(34-45(3)4)81(136)118-68(39-71(93)128)84(139)116-66(37-52-40-105-57-16-11-10-15-56(52)57)85(140)120-72(46(5)6)87(142)121-73(48(8)123)88(143)111-60(19-14-32-104-91(99)100)76(131)110-61(28-29-70(92)127)79(134)108-58(17-12-30-102-89(95)96)77(132)112-62(74(94)129)35-50-20-24-54(125)25-21-50/h10-11,15-16,20-27,40-41,43-48,58-69,72-73,105,122-123,125-126H,12-14,17-19,28-39,42H2,1-9H3,(H2,92,127)(H2,93,128)(H2,94,129)(H,101,106)(H,107,124)(H,108,134)(H,109,135)(H,110,131)(H,111,143)(H,112,132)(H,113,137)(H,114,141)(H,115,138)(H,116,139)(H,117,133)(H,118,136)(H,119,130)(H,120,140)(H,121,142)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t47-,48+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.980n/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))
BDBM50091674
PNG
(CHEMBL412698 | N-alpha-Ac-[D-Trp30]PYY(22-36)-NH2(...)
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)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C91H138N30O22/c1-44(2)33-63(114-86(141)69(42-122)119-75(130)47(7)107-49(9)124)80(135)109-59(18-13-31-103-90(97)98)78(133)117-67(38-53-41-101-43-106-53)83(138)115-65(36-51-22-26-55(126)27-23-51)82(137)113-64(34-45(3)4)81(136)118-68(39-71(93)128)84(139)116-66(37-52-40-105-57-16-11-10-15-56(52)57)85(140)120-72(46(5)6)87(142)121-73(48(8)123)88(143)111-60(19-14-32-104-91(99)100)76(131)110-61(28-29-70(92)127)79(134)108-58(17-12-30-102-89(95)96)77(132)112-62(74(94)129)35-50-20-24-54(125)25-21-50/h10-11,15-16,20-27,40-41,43-48,58-69,72-73,105,122-123,125-126H,12-14,17-19,28-39,42H2,1-9H3,(H2,92,127)(H2,93,128)(H2,94,129)(H,101,106)(H,107,124)(H,108,134)(H,109,135)(H,110,131)(H,111,143)(H,112,132)(H,113,137)(H,114,141)(H,115,138)(H,116,139)(H,117,133)(H,118,136)(H,119,130)(H,120,140)(H,121,142)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t47-,48+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 250n/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
NPY2R


(RAT)
BDBM50091674
PNG
(CHEMBL412698 | N-alpha-Ac-[D-Trp30]PYY(22-36)-NH2(...)
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)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C91H138N30O22/c1-44(2)33-63(114-86(141)69(42-122)119-75(130)47(7)107-49(9)124)80(135)109-59(18-13-31-103-90(97)98)78(133)117-67(38-53-41-101-43-106-53)83(138)115-65(36-51-22-26-55(126)27-23-51)82(137)113-64(34-45(3)4)81(136)118-68(39-71(93)128)84(139)116-66(37-52-40-105-57-16-11-10-15-56(52)57)85(140)120-72(46(5)6)87(142)121-73(48(8)123)88(143)111-60(19-14-32-104-91(99)100)76(131)110-61(28-29-70(92)127)79(134)108-58(17-12-30-102-89(95)96)77(132)112-62(74(94)129)35-50-20-24-54(125)25-21-50/h10-11,15-16,20-27,40-41,43-48,58-69,72-73,105,122-123,125-126H,12-14,17-19,28-39,42H2,1-9H3,(H2,92,127)(H2,93,128)(H2,94,129)(H,101,106)(H,107,124)(H,108,134)(H,109,135)(H,110,131)(H,111,143)(H,112,132)(H,113,137)(H,114,141)(H,115,138)(H,116,139)(H,117,133)(H,118,136)(H,119,130)(H,120,140)(H,121,142)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t47-,48+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.600n/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