BDBM7191 3-[4-(trifluoromethyl)phenyl]-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaene-5-carboxamide::dihydro-benzodipyrazole deriv. 7m

SMILES: NC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c2c1ccc1[nH]ncc21

InChI Key: InChIKey=WAJZMHFJIYMYOJ-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 = 7191   

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))	BDBM7191 (3-[4-(trifluoromethyl)phenyl]-3,4,10,11-tetraazatr...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C16H10F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-7H,(H2,20,25)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair