BDBM50150779 4-Bromo-phenol::4-bromophenol::CHEMBL57284

SMILES: Oc1ccc(Br)cc1

InChI Key: InChIKey=GZFGOTFRPZRKDS-UHFFFAOYSA-N

Data: 2 IC50  1 ITC

PDB links: 12 PDB IDs match this monomer.

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 2 hits for monomerid = 50150779   

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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50150779 (4-Bromo-phenol | 4-bromophenol | CHEMBL57284) Show SMILES Oc1ccc(Br)cc1 Show InChI InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory effect on human reticulocyte 15-lipoxygenase				J Med Chem 47: 4060-5 (2004) Article DOI: 10.1021/jm049872s BindingDB Entry DOI: 10.7270/Q2SX6CPV
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50150779 (4-Bromo-phenol | 4-bromophenol | CHEMBL57284) Show SMILES Oc1ccc(Br)cc1 Show InChI InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory effect on human platelet 12-lipoxygenase				J Med Chem 47: 4060-5 (2004) Article DOI: 10.1021/jm049872s BindingDB Entry DOI: 10.7270/Q2SX6CPV
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50150779

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36284	BDBM50150779	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.40	n/a	n/a	3.96	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)