BDBM7154 3-Phenylacetamidoaminopyrazole deriv. 31::4-{2-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl}benzamide::4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide::CHEMBL324577

SMILES: NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1

InChI Key: InChIKey=RJESYXNLLLQOLH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to 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 2 hits for monomerid = 7154   

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 (Homo sapiens (Human))	BDBM7154 (3-Phenylacetamidoaminopyrazole deriv. 31 | 4-{2-[(...) Show SMILES NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-15(21)11-3-1-9(2-4-11)7-14(20)17-13-8-12(18-19-13)10-5-6-10/h1-4,8,10H,5-7H2,(H2,16,21)(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7154 (3-Phenylacetamidoaminopyrazole deriv. 31 | 4-{2-[(...) Show SMILES NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-15(21)11-3-1-9(2-4-11)7-14(20)17-13-8-12(18-19-13)10-5-6-10/h1-4,8,10H,5-7H2,(H2,16,21)(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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)