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Compile Data Set for Download or QSAR

Found 4 hits of ki data for polymerid = 50006167,50006362,50006490,50006781,50007060,50007089,5291,5691,8232   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50574750
PNG
(CHEMBL4850758)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(c1ccc(cc1)-c1ccncc1)c1cc2OCOc2cc1O |r|
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Article
PubMed
293n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human KDM4D expressed in Escherichia coli BL21(DE3) using H3(1-21)K9me3 peptide and varying concentrations of 2-OG as substrate p...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113662
BindingDB Entry DOI: 10.7270/Q24T6P5X
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50468050
PNG
(CHEMBL4287599)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1
Show InChI InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+
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Article
PubMed
410n/an/an/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin)


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens (Human))
BDBM50047962
PNG
(CHEMBL1966136)
Show SMILES [O-][N+](=O)c1cc(c(\C=C\c2ccc(Cl)c(Cl)c2)cc1\C=C\c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
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Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



National Tsing-Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM4B (1 to 348 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by dou...


J Med Chem 57: 5975-85 (2014)


Article DOI: 10.1021/jm500249n
BindingDB Entry DOI: 10.7270/Q2QC0557
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50273478
PNG
(CHEMBL4130224)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C25H32NO3/c1-5-6-11-23-24(21-10-7-8-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-9-17-26(2,3)4/h7-8,10,12-16H,5-6,9,11,17-18H2,1-4H3/q+1
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PubMed
7.40E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity using H3(1-21)K4me3 pepti...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair