BDBM50384175 CHEMBL2029903

SMILES: CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C

InChI Key: InChIKey=CXCXNZWXDOVZBA-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50384175   

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))	BDBM50384175 (CHEMBL2029903) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB 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 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))	BDBM50384175 (CHEMBL2029903) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	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				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50384175 (CHEMBL2029903) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(N)=O)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(33)19-12-16(14-29(19)2)26-23-25-13-15-11-18(20(24)32)31(21(15)27-23)17-5-3-4-6-17/h11-14,17H,3-10H2,1-2H3,(H2,24,32)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	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