BDBM50521534 CHEMBL4455558

SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SC[C@H](O)CN)nc12

InChI Key: InChIKey=VCYCKELPCQACED-QGZVFWFLSA-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 = 50521534   

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))	BDBM50521534 (CHEMBL4455558) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SC[C@H](O)CN)nc12 |r| Show InChI InChI=1S/C23H27N7OS/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)32-13-17(31)11-24)26-12-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,31H,11-13,24H2,1-2H3,(H,29,30)(H,26,27,28)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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