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PubMed code 22263962

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
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50383011
PNG
(CHEMBL2030869)
Show SMILES OC(=O)[C@H](CSCc1cccc(c1)[N+]([O-])=O)NC(=O)C(O)=O
Show InChI InChI=1S/C12H12N2O7S/c15-10(12(18)19)13-9(11(16)17)6-22-5-7-2-1-3-8(4-7)14(20)21/h1-4,9H,5-6H2,(H,13,15)(H,16,17)(H,18,19)/t9-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-thioredoxin tagged PHF8 expressed in Escherichia coli using 2-OG as substrate incubated for 15 mins prior to subs...


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50383011
PNG
(CHEMBL2030869)
Show SMILES OC(=O)[C@H](CSCc1cccc(c1)[N+]([O-])=O)NC(=O)C(O)=O
Show InChI InChI=1S/C12H12N2O7S/c15-10(12(18)19)13-9(11(16)17)6-22-5-7-2-1-3-8(4-7)14(20)21/h1-4,9H,5-6H2,(H,13,15)(H,16,17)(H,18,19)/t9-/m0/s1
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50383012
PNG
(CHEMBL2030872)
Show SMILES OC(=O)[C@H](CSCc1ccc2ccccc2c1)NC(=O)C(O)=O
Show InChI InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-thioredoxin tagged PHF8 expressed in Escherichia coli using 2-OG as substrate incubated for 15 mins prior to subs...


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50383013
PNG
(CHEMBL2030873)
Show SMILES OC(=O)[C@H](CSCc1cccc2ccccc12)NC(=O)C(O)=O
Show InChI InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-thioredoxin tagged PHF8 expressed in Escherichia coli using 2-OG as substrate incubated for 15 mins prior to subs...


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50383013
PNG
(CHEMBL2030873)
Show SMILES OC(=O)[C@H](CSCc1cccc2ccccc12)NC(=O)C(O)=O
Show InChI InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50383012
PNG
(CHEMBL2030872)
Show SMILES OC(=O)[C@H](CSCc1ccc2ccccc2c1)NC(=O)C(O)=O
Show InChI InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2


J Med Chem 55: 2173-84 (2012)


Article DOI: 10.1021/jm201417e
BindingDB Entry DOI: 10.7270/Q28053NR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%