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BDBM50151399 CHEMBL3775380

SMILES: COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=HHHINYOXTBYXCI-UHFFFAOYSA-N

Data: 1 KI  14 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50151399   
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 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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683n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 5...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 2...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 5...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARTKQTARK(Me3...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
PDB
MMDB

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n/an/a 1.80E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (1 to 797 residues) (unknown origin) expressed in insect sf21 cells using ARTK(Me3)QTARKSTGGKAPRK peptide/ 100 uM alpha-ketogluta...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) expressed in Escherichia coli using Biotin H3 (28 to 48 residues) Me2 KDM2A Cognate Ligande/10 uM alpha-ketoglut...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) expressed in Escherichia coli using H3 (21 to 44 residues) K27Me3-GGK-Biotin JMJD3 Cognate Ligand/10 uM alpha-ke...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K4Me3-GGK-Biotin KDM5B Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 140n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...


J Med Chem 59: 1580-98 (2016)


BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair