BDBM50521541 CHEMBL4439587

SMILES: CNCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

InChI Key: InChIKey=ZMRGMIVLUBBEDR-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 = 50521541   

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))	BDBM50521541 (CHEMBL4439587) Show SMILES CNCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7S/c1-15(2)19-20-21(30-29-19)22(28-23(27-20)31-13-12-24-3)26-14-16-7-9-17(10-8-16)18-6-4-5-11-25-18/h4-11,15,24H,12-14H2,1-3H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...				J Med Chem 62: 4606-4623 (2019) Article DOI: 10.1021/acs.jmedchem.9b00189
					More data for this Ligand-Target Pair