BindingDB logo
myBDB logout

BDBM50091671 CHEMBL425095::N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-NH2(N-alpha-Ac-ASLAAFLNLVTRQRY-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](C)C(=O)N[C@@H](Cc1ccccc1)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

InChI Key: InChIKey=GHZDTANYDBSHNU-IOZNDOSASA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50091671   
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
NPY2R


(RAT)		BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
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](C)C(=O)N[C@@H](Cc1ccccc1)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/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.30n/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 1


(Homo sapiens (Human))		BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
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](C)C(=O)N[C@@H](Cc1ccccc1)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/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 674n/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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50091671
PNG
(CHEMBL425095 | N-alpha-Ac-[Ala26,Phe27]PYY(22-36)-...)
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](C)C(=O)N[C@@H](Cc1ccccc1)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/C83H137N27O21/c1-40(2)33-56(106-78(129)61(39-111)108-67(118)44(9)96-47(12)113)73(124)99-51(21-16-30-93-81(87)88)69(120)97-45(10)68(119)103-59(37-48-19-14-13-15-20-48)75(126)104-57(34-41(3)4)74(125)107-60(38-63(85)116)76(127)105-58(35-42(5)6)77(128)109-64(43(7)8)79(130)110-65(46(11)112)80(131)101-53(23-18-32-95-83(91)92)70(121)100-54(28-29-62(84)115)72(123)98-52(22-17-31-94-82(89)90)71(122)102-55(66(86)117)36-49-24-26-50(114)27-25-49/h13-15,19-20,24-27,40-46,51-61,64-65,111-112,114H,16-18,21-23,28-39H2,1-12H3,(H2,84,115)(H2,85,116)(H2,86,117)(H,96,113)(H,97,120)(H,98,123)(H,99,124)(H,100,121)(H,101,131)(H,102,122)(H,103,119)(H,104,126)(H,105,127)(H,106,129)(H,107,125)(H,108,118)(H,109,128)(H,110,130)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.84n/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