Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50046550' 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 1
(Homo sapiens (Human)) | BDBM50046550
(CHEMBL439122 | Tyr-Pro-Ser-Lys-[Aca]-Arg-His-Tyr-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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(O)=O Show InChI InChI=1S/C102H161N31O25/c1-8-55(5)81(95(153)127-74(50-79(106)140)90(148)124-71(45-54(3)4)91(149)131-82(56(6)9-2)96(154)132-83(57(7)135)97(155)123-69(22-17-43-117-102(111)112)86(144)122-70(37-38-78(105)139)88(146)121-68(21-16-42-116-101(109)110)87(145)128-75(99(157)158)48-60-29-35-64(138)36-30-60)130-92(150)72(47-59-27-33-63(137)34-28-59)125-89(147)73(49-61-51-113-53-118-61)126-85(143)67(20-15-41-115-100(107)108)119-80(141)24-11-10-14-40-114-84(142)66(19-12-13-39-103)120-93(151)76(52-134)129-94(152)77-23-18-44-133(77)98(156)65(104)46-58-25-31-62(136)32-26-58/h25-36,51,53-57,65-77,81-83,134-138H,8-24,37-50,52,103-104H2,1-7H3,(H2,105,139)(H2,106,140)(H,113,118)(H,114,142)(H,119,141)(H,120,151)(H,121,146)(H,122,144)(H,123,155)(H,124,148)(H,125,147)(H,126,143)(H,127,153)(H,128,145)(H,129,152)(H,130,150)(H,131,149)(H,132,154)(H,157,158)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56-,57+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells |
J Med Chem 36: 385-93 (1993)
BindingDB Entry DOI: 10.7270/Q2WS8S96 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50046550
(CHEMBL439122 | Tyr-Pro-Ser-Lys-[Aca]-Arg-His-Tyr-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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(O)=O Show InChI InChI=1S/C102H161N31O25/c1-8-55(5)81(95(153)127-74(50-79(106)140)90(148)124-71(45-54(3)4)91(149)131-82(56(6)9-2)96(154)132-83(57(7)135)97(155)123-69(22-17-43-117-102(111)112)86(144)122-70(37-38-78(105)139)88(146)121-68(21-16-42-116-101(109)110)87(145)128-75(99(157)158)48-60-29-35-64(138)36-30-60)130-92(150)72(47-59-27-33-63(137)34-28-59)125-89(147)73(49-61-51-113-53-118-61)126-85(143)67(20-15-41-115-100(107)108)119-80(141)24-11-10-14-40-114-84(142)66(19-12-13-39-103)120-93(151)76(52-134)129-94(152)77-23-18-44-133(77)98(156)65(104)46-58-25-31-62(136)32-26-58/h25-36,51,53-57,65-77,81-83,134-138H,8-24,37-50,52,103-104H2,1-7H3,(H2,105,139)(H2,106,140)(H,113,118)(H,114,142)(H,119,141)(H,120,151)(H,121,146)(H,122,144)(H,123,155)(H,124,148)(H,125,147)(H,126,143)(H,127,153)(H,128,145)(H,129,152)(H,130,150)(H,131,149)(H,132,154)(H,157,158)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56-,57+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay |
J Med Chem 61: 10519-10530 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50046550
(CHEMBL439122 | Tyr-Pro-Ser-Lys-[Aca]-Arg-His-Tyr-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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(O)=O Show InChI InChI=1S/C102H161N31O25/c1-8-55(5)81(95(153)127-74(50-79(106)140)90(148)124-71(45-54(3)4)91(149)131-82(56(6)9-2)96(154)132-83(57(7)135)97(155)123-69(22-17-43-117-102(111)112)86(144)122-70(37-38-78(105)139)88(146)121-68(21-16-42-116-101(109)110)87(145)128-75(99(157)158)48-60-29-35-64(138)36-30-60)130-92(150)72(47-59-27-33-63(137)34-28-59)125-89(147)73(49-61-51-113-53-118-61)126-85(143)67(20-15-41-115-100(107)108)119-80(141)24-11-10-14-40-114-84(142)66(19-12-13-39-103)120-93(151)76(52-134)129-94(152)77-23-18-44-133(77)98(156)65(104)46-58-25-31-62(136)32-26-58/h25-36,51,53-57,65-77,81-83,134-138H,8-24,37-50,52,103-104H2,1-7H3,(H2,105,139)(H2,106,140)(H,113,118)(H,114,142)(H,119,141)(H,120,151)(H,121,146)(H,122,144)(H,123,155)(H,124,148)(H,125,147)(H,126,143)(H,127,153)(H,128,145)(H,129,152)(H,130,150)(H,131,149)(H,132,154)(H,157,158)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56-,57+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay |
J Med Chem 61: 10519-10530 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01046
BindingDB Entry DOI: 10.7270/Q2ZC85JC |
More data for this
Ligand-Target Pair | |
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