BDBM50316489 CHEMBL1095989::N-(4-{1-Ethyl-4-[2-({[3-(4-methyl-1-piperazinyl)propyl]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(CNCCCN3CCN(C)CC3)cc12

InChI Key: InChIKey=RDIZFHYTFVBBCX-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 = 50316489   

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))	BDBM50316489 (CHEMBL1095989 | N-(4-{1-Ethyl-4-[2-({[3-(4-methyl-...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCCN3CCN(C)CC3)cc12 Show InChI InChI=1S/C34H41N9O/c1-3-43-24-31(32(40-43)25-10-12-27(13-11-25)39-34(44)38-26-8-5-4-6-9-26)29-14-16-36-33-30(29)22-28(37-33)23-35-15-7-17-42-20-18-41(2)19-21-42/h4-6,8-14,16,22,24,35H,3,7,15,17-21,23H2,1-2H3,(H,36,37)(H2,38,39,44)	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	5.11E+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))	BDBM50316489 (CHEMBL1095989 | N-(4-{1-Ethyl-4-[2-({[3-(4-methyl-...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCCN3CCN(C)CC3)cc12 Show InChI InChI=1S/C34H41N9O/c1-3-43-24-31(32(40-43)25-10-12-27(13-11-25)39-34(44)38-26-8-5-4-6-9-26)29-14-16-36-33-30(29)22-28(37-33)23-35-15-7-17-42-20-18-41(2)19-21-42/h4-6,8-14,16,22,24,35H,3,7,15,17-21,23H2,1-2H3,(H,36,37)(H2,38,39,44)	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	83	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