Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.3 BDBM7155

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7155 (3-Phenylacetamidoaminopyrazole deriv. 32 | CHEMBL1...) Show SMILES COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1 Show InChI InChI=1S/C15H17N3O2/c1-20-12-4-2-3-10(7-12)8-15(19)16-14-9-13(17-18-14)11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H2,16,17,18,19)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology (CSIR) Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				Eur J Med Chem 43: 2807-18 (2008) Article DOI: 10.1016/j.ejmech.2007.10.016 BindingDB Entry DOI: 10.7270/Q2MP5324
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7155 (3-Phenylacetamidoaminopyrazole deriv. 32 | CHEMBL1...) Show SMILES COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1 Show InChI InChI=1S/C15H17N3O2/c1-20-12-4-2-3-10(7-12)8-15(19)16-14-9-13(17-18-14)11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H2,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					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 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)