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BDBM50303763 (R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-methylbutanoic acid::CHEMBL568873

SMILES: CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O

InChI Key: InChIKey=BNYWBSPWOHMZNE-UEQNJFAPNA-N

Data: 2 IC50  2 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50303763   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/s2
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Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/s2
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MMDB

KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)


Article DOI: 10.1021/jm400193d
BindingDB Entry DOI: 10.7270/Q21V5GBQ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/s2
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PubMed
n/an/an/a 3.30E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2 by nondenaturing ESI-MS


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303763
PNG
((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES CC(C)[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/s2
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/a 3.30E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature


J Med Chem 53: 867-75 (2010)


Article DOI: 10.1021/jm901537q
BindingDB Entry DOI: 10.7270/Q2JD4WWN
More data for this
Ligand-Target Pair