BDBM50316486 CHEMBL1096491::N-(4-{4-[2-({[2-(Dimethylamino)ethyl]amino}methyl)-1Hpyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl}phenyl)-N'-phenylurea

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

InChI Key: InChIKey=DQJRSRINKOLTGU-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 = 50316486   

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))	BDBM50316486 (CHEMBL1096491 | N-(4-{4-[2-({[2-(Dimethylamino)eth...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN(C)C)cc12 Show InChI InChI=1S/C30H34N8O/c1-4-38-20-27(25-14-15-32-29-26(25)18-24(33-29)19-31-16-17-37(2)3)28(36-38)21-10-12-23(13-11-21)35-30(39)34-22-8-6-5-7-9-22/h5-15,18,20,31H,4,16-17,19H2,1-3H3,(H,32,33)(H2,34,35,39)	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	5.48E+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))	BDBM50316486 (CHEMBL1096491 | N-(4-{4-[2-({[2-(Dimethylamino)eth...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCN(C)C)cc12 Show InChI InChI=1S/C30H34N8O/c1-4-38-20-27(25-14-15-32-29-26(25)18-24(33-29)19-31-16-17-37(2)3)28(36-38)21-10-12-23(13-11-21)35-30(39)34-22-8-6-5-7-9-22/h5-15,18,20,31H,4,16-17,19H2,1-3H3,(H,32,33)(H2,34,35,39)	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	276	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