BDBM50307555 CHEMBL597379::Ethyl 4-{[1-Methyl-3-(methylcarbamoyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazolin-8-yl]amino}piperidine-1-carboxylate

SMILES: CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC

InChI Key: InChIKey=SCWFKTCRDHIMRO-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 = 50307555   

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))	BDBM50307555 (CHEMBL597379 | Ethyl 4-{[1-Methyl-3-(methylcarbamo...) Show SMILES CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC Show InChI InChI=1S/C26H36N8O4/c1-4-38-26(37)34-11-7-16(8-12-34)24(36)33-13-9-18(10-14-33)29-25-28-15-17-5-6-19-21(23(35)27-2)31-32(3)22(19)20(17)30-25/h15-16,18H,4-14H2,1-3H3,(H,27,35)(H,28,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 2171-87 (2010) Article DOI: 10.1021/jm901710h BindingDB Entry DOI: 10.7270/Q2N879W9
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50307555 (CHEMBL597379 | Ethyl 4-{[1-Methyl-3-(methylcarbamo...) Show SMILES CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC Show InChI InChI=1S/C26H36N8O4/c1-4-38-26(37)34-11-7-16(8-12-34)24(36)33-13-9-18(10-14-33)29-25-28-15-17-5-6-19-21(23(35)27-2)31-32(3)22(19)20(17)30-25/h15-16,18H,4-14H2,1-3H3,(H,27,35)(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A				J Med Chem 53: 2171-87 (2010) Article DOI: 10.1021/jm901710h BindingDB Entry DOI: 10.7270/Q2N879W9
					More data for this Ligand-Target Pair