Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50185368' 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)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50185368
(CHEMBL2371910 | CHEMBL439884 | Pim[-Trp-Arg-Nva-Ar...)Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)| Show InChI InChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52?,53?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Inhibitory activity against Opioid receptor kappa 1 expressed in HEK-293 cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
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