BDBM50316485 CHEMBL1094904::N-{4-[1-Ethyl-4-(2-{[(2-hydroxyethyl)amino]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N'-phenylurea

SMILES: CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12

InChI Key: InChIKey=SKNITDPTVHFEGL-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 = 50316485   

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))	BDBM50316485 (CHEMBL1094904 | N-{4-[1-Ethyl-4-(2-{[(2-hydroxyeth...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12 Show InChI InChI=1S/C28H29N7O2/c1-2-35-18-25(23-12-13-30-27-24(23)16-22(31-27)17-29-14-15-36)26(34-35)19-8-10-21(11-9-19)33-28(37)32-20-6-4-3-5-7-20/h3-13,16,18,29,36H,2,14-15,17H2,1H3,(H,30,31)(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316485 (CHEMBL1094904 | N-{4-[1-Ethyl-4-(2-{[(2-hydroxyeth...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12 Show InChI InChI=1S/C28H29N7O2/c1-2-35-18-25(23-12-13-30-27-24(23)16-22(31-27)17-29-14-15-36)26(34-35)19-8-10-21(11-9-19)33-28(37)32-20-6-4-3-5-7-20/h3-13,16,18,29,36H,2,14-15,17H2,1H3,(H,30,31)(H2,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair