BDBM7115 3-Aminopyrazole deriv. 28::N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl]propanamide::N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)phenyl]propanamide

SMILES: CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cn[nH]c1=O

InChI Key: InChIKey=DUXWDMGSXRPDFV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 7115   

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 2 (CDK2) (Homo sapiens (Human))	BDBM7115 (3-Aminopyrazole deriv. 28 | N-(5-Cyclopropyl-1H-py...) Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cn[nH]c1=O Show InChI InChI=1S/C17H18N6O2/c1-10(16(24)19-15-8-14(20-21-15)12-2-3-12)11-4-6-13(7-5-11)23-9-18-22-17(23)25/h4-10,12H,2-3H2,1H3,(H,22,25)(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 48: 2944-56 (2005) Article DOI: 10.1021/jm0408870 BindingDB Entry DOI: 10.7270/Q2WQ020R
					More data for this Ligand-Target Pair				3D Structure (docked)