BDBM50315841 4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrrolidin-1-yl)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide::CHEMBL1093854

SMILES: CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1

InChI Key: InChIKey=OAIDOYYRSBXKJG-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 = 50315841   

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))	BDBM50315841 (4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrroli...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1 Show InChI InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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))	BDBM50315841 (4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrroli...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1 Show InChI InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	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