Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50091680' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 2
(RAT) | BDBM50091680
(CHEMBL411800 | N-alpha-Ac-[CH2-NH32-33]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](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](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN[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)[C@@H](C)O Show InChI InChI=1S/C86H141N29O21/c1-42(2)31-59(109-82(135)66(40-116)114-71(124)46(9)102-48(11)118)76(129)104-56(17-14-30-99-86(94)95)74(127)111-63(36-51-38-96-41-101-51)79(132)110-62(35-50-20-24-53(120)25-21-50)78(131)107-60(32-43(3)4)77(130)112-64(37-68(88)122)80(133)108-61(33-44(5)6)81(134)115-69(45(7)8)83(136)113-65(47(10)117)39-100-54(15-12-28-97-84(90)91)72(125)105-57(26-27-67(87)121)75(128)103-55(16-13-29-98-85(92)93)73(126)106-58(70(89)123)34-49-18-22-52(119)23-19-49/h18-25,38,41-47,54-66,69,100,116-117,119-120H,12-17,26-37,39-40H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,101)(H,102,118)(H,103,128)(H,104,129)(H,105,125)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,136)(H,114,124)(H,115,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-,69-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.03 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50091680
(CHEMBL411800 | N-alpha-Ac-[CH2-NH32-33]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](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](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN[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)[C@@H](C)O Show InChI InChI=1S/C86H141N29O21/c1-42(2)31-59(109-82(135)66(40-116)114-71(124)46(9)102-48(11)118)76(129)104-56(17-14-30-99-86(94)95)74(127)111-63(36-51-38-96-41-101-51)79(132)110-62(35-50-20-24-53(120)25-21-50)78(131)107-60(32-43(3)4)77(130)112-64(37-68(88)122)80(133)108-61(33-44(5)6)81(134)115-69(45(7)8)83(136)113-65(47(10)117)39-100-54(15-12-28-97-84(90)91)72(125)105-57(26-27-67(87)121)75(128)103-55(16-13-29-98-85(92)93)73(126)106-58(70(89)123)34-49-18-22-52(119)23-19-49/h18-25,38,41-47,54-66,69,100,116-117,119-120H,12-17,26-37,39-40H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,101)(H,102,118)(H,103,128)(H,104,129)(H,105,125)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,136)(H,114,124)(H,115,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-,69-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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