BDBM50303764 (S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)-3-methylbutanoic acid::CHEMBL569062
SMILES: CC(C)[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
InChI Key: InChIKey=BNYWBSPWOHMZNE-JTQLQIEISA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Egl nine homolog 1 (Homo sapiens (Human)) | BDBM50303764 ((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50303764 ((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50303764 ((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/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)) | BDBM50303764 ((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/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 |