BDBM50316494 CHEMBL1095498::N-{4-[1-(1,1-Dimethylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N'-phenylurea

SMILES: CC(C)(C)n1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=WHYSRBRRFPMZRT-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 = 50316494   

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))	BDBM50316494 (CHEMBL1095498 | N-{4-[1-(1,1-Dimethylethyl)-4-(1H-...) Show SMILES CC(C)(C)n1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C27H26N6O/c1-27(2,3)33-17-23(21-13-15-28-25-22(21)14-16-29-25)24(32-33)18-9-11-20(12-10-18)31-26(34)30-19-7-5-4-6-8-19/h4-17H,1-3H3,(H,28,29)(H2,30,31,34)	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	8.16E+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))	BDBM50316494 (CHEMBL1095498 | N-{4-[1-(1,1-Dimethylethyl)-4-(1H-...) Show SMILES CC(C)(C)n1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C27H26N6O/c1-27(2,3)33-17-23(21-13-15-28-25-22(21)14-16-29-25)24(32-33)18-9-11-20(12-10-18)31-26(34)30-19-7-5-4-6-8-19/h4-17H,1-3H3,(H,28,29)(H2,30,31,34)	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	50	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