BDBM50318581 4-(6-Bromo-7-(4-(phenylsulfonyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline::CHEMBL1085134

SMILES: CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1

InChI Key: InChIKey=LLNXIEBQULOTRS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50318581   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50318581 (4-(6-Bromo-7-(4-(phenylsulfonyl)piperazin-1-yl)-3H...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1 Show InChI InChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318581 (4-(6-Bromo-7-(4-(phenylsulfonyl)piperazin-1-yl)-3H...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(CC3)S(=O)(=O)c3ccccc3)c2[nH]1 Show InChI InChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Aurora A				Eur J Med Chem 46: 77-94 (2010) Article DOI: 10.1016/j.ejmech.2010.10.017 BindingDB Entry DOI: 10.7270/Q25X296N
					More data for this Ligand-Target Pair