BDBM50240769 3-Phenyl-5-bromosalicylic acid::5-Bromo-2-hydroxy-biphenyl-3-carboxylic acid::CHEMBL331146

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

InChI Key: InChIKey=HUQWWRUNBHYQLK-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50240769   

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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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
					More data for this Ligand-Target Pair				3D Structure (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+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 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
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 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
					More data for this Ligand-Target Pair
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Dissociation constant against VEGF (vascular endothelial growth factor) was determined.				J Med Chem 43: 3443-7 (2000) BindingDB Entry DOI: 10.7270/Q2X068B2
					More data for this Ligand-Target Pair