BindingDB PrimarySearch

BDBM50219490 3-Bromo-5-phenylsalicylc acid::5-bromo-4-hydroxybiphenyl-3-carboxylic acid::CHEMBL387536

SMILES: OC(=O)c1cc(cc(Br)c1O)-c1ccccc1

InChI Key: InChIKey=XVZSXNULHSIRCQ-UHFFFAOYSA-N

Data: 7 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50219490
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant 20-alpha HSD expressed in Escherichia coli JM109				J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assay				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation at 400 uM by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109				J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109				J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant type 1 3-alpha-HSD expressed in Escherichia coli JM109				J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant 20-alpha HSD expressed in BAEC assessed as inhibition of progesterone metabolism treated 2 hrs before progesterone ch...				J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human AKR1C1-mediated progesterone metabolism expressed in bovine aortic endothelial cells assessed as formation of 20alpha-hydroxyprog...				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid \| 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 15: 6535-48 (2007) Article DOI: 10.1016/j.bmc.2007.07.010 BindingDB Entry DOI: 10.7270/Q2GM871J
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair