BDBM50384177 CHEMBL2029905

SMILES: CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1

InChI Key: InChIKey=JZAIDLUIAGRFMY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50384177   

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 B (Homo sapiens (Human))	BDBM50384177 (CHEMBL2029905) Show SMILES CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C24H33N7O2/c1-16(32)20-12-17-14-25-24(27-22(17)31(20)19-6-4-5-7-19)26-18-13-21(29(3)15-18)23(33)30-10-8-28(2)9-11-30/h12-16,19,32H,4-11H2,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 B kinase				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50384177 (CHEMBL2029905) Show SMILES CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C24H33N7O2/c1-16(32)20-12-17-14-25-24(27-22(17)31(20)19-6-4-5-7-19)26-18-13-21(29(3)15-18)23(33)30-10-8-28(2)9-11-30/h12-16,19,32H,4-11H2,1-3H3,(H,25,26,27)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50384177 (CHEMBL2029905) Show SMILES CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C24H33N7O2/c1-16(32)20-12-17-14-25-24(27-22(17)31(20)19-6-4-5-7-19)26-18-13-21(29(3)15-18)23(33)30-10-8-28(2)9-11-30/h12-16,19,32H,4-11H2,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair