BDBM50316503 CHEMBL1099343::N-(3-{4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}phenyl)acetamide

SMILES: CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(NC(C)=O)c1

InChI Key: InChIKey=CSFNNUIZTRGKSQ-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 = 50316503   

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))	BDBM50316503 (CHEMBL1099343 | N-(3-{4-[1-Ethyl-3-(4-{[(phenylami...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C33H29N7O2/c1-3-40-20-29(31(39-40)22-12-14-25(15-13-22)37-33(42)36-24-9-5-4-6-10-24)27-16-17-34-32-28(27)19-30(38-32)23-8-7-11-26(18-23)35-21(2)41/h4-20H,3H2,1-2H3,(H,34,38)(H,35,41)(H2,36,37,42)	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	126	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))	BDBM50316503 (CHEMBL1099343 | N-(3-{4-[1-Ethyl-3-(4-{[(phenylami...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C33H29N7O2/c1-3-40-20-29(31(39-40)22-12-14-25(15-13-22)37-33(42)36-24-9-5-4-6-10-24)27-16-17-34-32-28(27)19-30(38-32)23-8-7-11-26(18-23)35-21(2)41/h4-20H,3H2,1-2H3,(H,34,38)(H,35,41)(H2,36,37,42)	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	44	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