BDBM50307540 1-Methyl-8-{[4-(methylsulfonyl)benzyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL598987

SMILES: Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12

InChI Key: InChIKey=RBAODIAUJYQMMC-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 = 50307540   

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))	BDBM50307540 (1-Methyl-8-{[4-(methylsulfonyl)benzyl]amino}-4,5-d...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12 Show InChI InChI=1S/C19H20N6O3S/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(7-4-11)29(2,27)28/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)	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	890	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))	BDBM50307540 (1-Methyl-8-{[4-(methylsulfonyl)benzyl]amino}-4,5-d...) Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12 Show InChI InChI=1S/C19H20N6O3S/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(7-4-11)29(2,27)28/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)	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	38	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