BDBM24643 4-N-benzene-3-N-(4-fluorophenyl)-1H-pyrazole-3,4-diamido::pyrazole diamide, 22

SMILES: Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)cc1

InChI Key: InChIKey=ZMWYSLJBNJUCRK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24643   

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))	BDBM24643 (4-N-benzene-3-N-(4-fluorophenyl)-1H-pyrazole-3,4-d...) Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....				J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W
					More data for this Ligand-Target Pair				3D Structure (crystal)