BDBM50277936 (R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)propanoic acid::CHEMBL485023

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

InChI Key: InChIKey=QJWFWOUODUTVCE-ZCFIWIBFSA-N

Data: 2 IC50  2 Kd

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 4 hits for monomerid = 50277936   

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))	BDBM50277936 ((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r| Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1	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	2.30E+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))	BDBM50277936 ((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r| Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	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))	BDBM50277936 ((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r| Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1	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	2.20E+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))	BDBM50277936 ((R)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...) Show SMILES C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r| Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m1/s1	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	2.20E+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