BDBM50315839 4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)acetamido)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide::CHEMBL1093265

SMILES: CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1

InChI Key: InChIKey=OUEYXPDIZLXCBG-CMDGGOBGSA-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 = 50315839   

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))	BDBM50315839 (4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)ace...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1 Show InChI InChI=1S/C28H30N6O2S/c1-19-15-26-23(18-25(19)30-27(35)17-22-7-4-14-37-22)24(31-32-26)9-8-20-5-3-6-21(16-20)29-28(36)34-12-10-33(2)11-13-34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,29,36)(H,30,35)(H,31,32)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315839 (4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)ace...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1 Show InChI InChI=1S/C28H30N6O2S/c1-19-15-26-23(18-25(19)30-27(35)17-22-7-4-14-37-22)24(31-32-26)9-8-20-5-3-6-21(16-20)29-28(36)34-12-10-33(2)11-13-34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,29,36)(H,30,35)(H,31,32)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair