Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50197020' 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
(Homo sapiens (Human)) | BDBM50197020
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(11.85,2.11,;11.85,.57,;13.19,-.2,;10.52,-.2,;10.52,-1.74,;9.18,-2.5,;7.85,-1.73,;7.85,-.19,;6.52,-2.5,;6.52,-4.04,;7.85,-4.81,;9.18,-4.04,;10.52,-4.81,;10.52,-6.35,;11.83,-7.11,;9.18,-7.12,;7.85,-6.35,;5.18,-1.73,;3.86,-2.51,;3.86,-4.05,;2.53,-1.74,;2.53,-.2,;3.86,.57,;5.27,-.06,;6.3,1.09,;5.53,2.42,;4.02,2.1,;1.19,-2.5,;-.15,-1.73,;-.15,-.19,;-1.47,-2.5,;-1.47,-4.04,;-.15,-4.81,;-.15,-6.35,;1.19,-7.12,;1.2,-8.66,;-.15,-9.43,;2.51,-9.43,;-2.81,-1.74,;-4.13,-2.53,;-4.13,-4.07,;-5.47,-1.76,;-5.47,-.22,;-6.8,.55,;-8.13,-.22,;-9.47,.55,;-8.13,-1.77,;-6.79,-2.53,;11.85,-2.51,;11.85,-4.05,;13.18,-1.73,;14.51,-2.5,;14.51,-4.04,;15.84,-4.81,;17.17,-4.03,;15.84,-6.35,;15.84,-1.73,;15.84,-.19,;17.18,-2.5,;18.51,-1.73,;18.51,-.19,;19.84,.58,;19.84,2.12,;21.18,-.19,;19.84,-2.5,;19.84,-4.04,;21.17,-1.73,;22.51,-2.5,;22.51,-4.04,;23.83,-4.81,;21.17,-4.81,;23.83,-1.73,;23.83,-.19,;25.17,-2.5,;26.51,-1.73,;26.51,-.19,;25.17,.58,;27.83,.59,;27.83,-2.5,;27.83,-4.04,;29.16,-1.72,;30.49,-2.5,;30.49,-4.04,;31.82,-4.81,;31.82,-6.35,;33.16,-7.11,;33.16,-8.65,;31.82,-9.41,;34.5,-9.41,;31.82,-1.73,;31.82,-.19,;33.16,-2.49,;34.5,-1.73,;34.5,-.19,;35.83,.58,;35.83,2.12,;34.49,2.9,;37.16,2.89,;35.83,-2.5,;35.83,-4.04,;37.16,-1.73,;38.49,-2.5,;38.49,-4.04,;39.82,-4.81,;39.82,-6.35,;41.16,-7.11,;41.16,-8.65,;39.82,-9.42,;42.49,-9.42,;39.82,-1.73,;39.82,-.19,;41.15,-2.5,;42.49,-1.73,;42.49,-.19,;43.82,.58,;45.16,-.19,;46.49,.58,;46.49,2.12,;47.82,2.89,;45.16,2.89,;43.82,2.12,;43.82,-2.5,;45.16,-1.73,;43.82,-4.04,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-16-24-49(109)25-17-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(11-8-28-91-77(84)85)95-65(113)45-18-20-46(80)21-19-45)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(13-10-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(12-9-29-92-78(86)87)67(115)99-54(64(83)112)33-43-14-22-48(108)23-15-43/h14-25,37-42,50-59,62-63,107-109H,8-13,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197020
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(11.85,2.11,;11.85,.57,;13.19,-.2,;10.52,-.2,;10.52,-1.74,;9.18,-2.5,;7.85,-1.73,;7.85,-.19,;6.52,-2.5,;6.52,-4.04,;7.85,-4.81,;9.18,-4.04,;10.52,-4.81,;10.52,-6.35,;11.83,-7.11,;9.18,-7.12,;7.85,-6.35,;5.18,-1.73,;3.86,-2.51,;3.86,-4.05,;2.53,-1.74,;2.53,-.2,;3.86,.57,;5.27,-.06,;6.3,1.09,;5.53,2.42,;4.02,2.1,;1.19,-2.5,;-.15,-1.73,;-.15,-.19,;-1.47,-2.5,;-1.47,-4.04,;-.15,-4.81,;-.15,-6.35,;1.19,-7.12,;1.2,-8.66,;-.15,-9.43,;2.51,-9.43,;-2.81,-1.74,;-4.13,-2.53,;-4.13,-4.07,;-5.47,-1.76,;-5.47,-.22,;-6.8,.55,;-8.13,-.22,;-9.47,.55,;-8.13,-1.77,;-6.79,-2.53,;11.85,-2.51,;11.85,-4.05,;13.18,-1.73,;14.51,-2.5,;14.51,-4.04,;15.84,-4.81,;17.17,-4.03,;15.84,-6.35,;15.84,-1.73,;15.84,-.19,;17.18,-2.5,;18.51,-1.73,;18.51,-.19,;19.84,.58,;19.84,2.12,;21.18,-.19,;19.84,-2.5,;19.84,-4.04,;21.17,-1.73,;22.51,-2.5,;22.51,-4.04,;23.83,-4.81,;21.17,-4.81,;23.83,-1.73,;23.83,-.19,;25.17,-2.5,;26.51,-1.73,;26.51,-.19,;25.17,.58,;27.83,.59,;27.83,-2.5,;27.83,-4.04,;29.16,-1.72,;30.49,-2.5,;30.49,-4.04,;31.82,-4.81,;31.82,-6.35,;33.16,-7.11,;33.16,-8.65,;31.82,-9.41,;34.5,-9.41,;31.82,-1.73,;31.82,-.19,;33.16,-2.49,;34.5,-1.73,;34.5,-.19,;35.83,.58,;35.83,2.12,;34.49,2.9,;37.16,2.89,;35.83,-2.5,;35.83,-4.04,;37.16,-1.73,;38.49,-2.5,;38.49,-4.04,;39.82,-4.81,;39.82,-6.35,;41.16,-7.11,;41.16,-8.65,;39.82,-9.42,;42.49,-9.42,;39.82,-1.73,;39.82,-.19,;41.15,-2.5,;42.49,-1.73,;42.49,-.19,;43.82,.58,;45.16,-.19,;46.49,.58,;46.49,2.12,;47.82,2.89,;45.16,2.89,;43.82,2.12,;43.82,-2.5,;45.16,-1.73,;43.82,-4.04,)| Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-16-24-49(109)25-17-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(11-8-28-91-77(84)85)95-65(113)45-18-20-46(80)21-19-45)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(13-10-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(12-9-29-92-78(86)87)67(115)99-54(64(83)112)33-43-14-22-48(108)23-15-43/h14-25,37-42,50-59,62-63,107-109H,8-13,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]GTPgammaS incorporation assay |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
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