BDBM50521540 CHEMBL4457612

SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCNC(N)=O)nc12

InChI Key: InChIKey=SUNRVMQMGBPUEI-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 = 50521540   

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))	BDBM50521540 (CHEMBL4457612) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCNC(N)=O)nc12 Show InChI InChI=1S/C23H26N8OS/c1-14(2)18-19-20(31-30-18)21(29-23(28-19)33-12-11-26-22(24)32)27-13-15-6-8-16(9-7-15)17-5-3-4-10-25-17/h3-10,14H,11-13H2,1-2H3,(H,30,31)(H3,24,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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