BDBM50233960 CHEMBL4102397

SMILES: Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1

InChI Key: InChIKey=DBSVHPMLFZFRMB-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 = 50233960   

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
CDK2/CycE (Homo sapiens (Human))	BDBM50233960 (CHEMBL4102397) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C24H18BrN5O/c25-21-15-28-30-23(27-14-16-2-1-11-26-13-16)12-22(29-24(21)30)19-5-3-17(4-6-19)18-7-9-20(31)10-8-18/h1-13,15,27,31H,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair