BDBM50345231 5-bromo-1-benzofuran-2-carboxylic acid::5-bromobenzofuran-2-carboxylic acid::CHEMBL1738916

SMILES: OC(=O)c1cc2cc(Br)ccc2o1

InChI Key: InChIKey=QKUWZCOVKRUXKX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 = 50345231   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50345231 (5-bromo-1-benzofuran-2-carboxylic acid | 5-bromobe...) Show SMILES OC(=O)c1cc2cc(Br)ccc2o1 Show InChI InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...				J Med Chem 55: 2641-8 (2012) Article DOI: 10.1021/jm2014698 BindingDB Entry DOI: 10.7270/Q2Q2418B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50345231 (5-bromo-1-benzofuran-2-carboxylic acid | 5-bromobe...) Show SMILES OC(=O)c1cc2cc(Br)ccc2o1 Show InChI InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair				3D Structure (crystal)