BDBM50352213 CHEMBL1825094

SMILES: CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1

InChI Key: InChIKey=MRAOFFFVZQWILN-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 = 50352213   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50352213 (CHEMBL1825094) Show SMILES CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C25H29N7O2S/c1-35(33,34)31(18-19-12-14-26-15-13-19)22-10-8-21(9-11-22)29-25-27-16-20-17-28-32(24(20)30-25)23-6-4-2-3-5-7-23/h8-17,23H,2-7,18H2,1H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352213 (CHEMBL1825094) Show SMILES CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 Show InChI InChI=1S/C25H29N7O2S/c1-35(33,34)31(18-19-12-14-26-15-13-19)22-10-8-21(9-11-22)29-25-27-16-20-17-28-32(24(20)30-25)23-6-4-2-3-5-7-23/h8-17,23H,2-7,18H2,1H3,(H,27,29,30)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay				Bioorg Med Chem Lett 21: 5633-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.129 BindingDB Entry DOI: 10.7270/Q2HM58VW
					More data for this Ligand-Target Pair