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PubChem AID 2211

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 1


(HUMAN)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM58193
PNG
(1-(3,4-dichlorophenyl)-3-[2-[2,6-dinitro-4-(triflu...)
Show SMILES [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H12Cl2F3N5O4S/c17-10-2-1-9(7-11(10)18)24-15(31)23-4-3-22-14-12(25(27)28)5-8(16(19,20)21)6-13(14)26(29)30/h1-2,5-7,22H,3-4H2,(H2,23,24,31)
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n/an/an/an/a 1.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM57764
PNG
(4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4O2/c1-2-29-23(28)22-26-20-11-7-6-10-19(20)21(27-22)25-18-14-12-17(13-15-18)24-16-8-4-3-5-9-16/h3-15,24H,2H2,1H3,(H,25,26,27)
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n/an/an/an/a 1.32E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 5.53E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM47430
PNG
((5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thio...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
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n/an/an/an/a 3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM61800
PNG
(1-(9-carbazolyl)-3-(diethylamino)-2-propanol | 1-c...)
Show SMILES CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H24N2O/c1-3-20(4-2)13-15(22)14-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15,22H,3-4,13-14H2,1-2H3
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n/an/an/an/a 3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PK4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%