BDBM50013491 CHEMBL3264158

SMILES: CCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1

InChI Key: InChIKey=WBVGUWUOTGUKKV-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 = 50013491   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50013491 (CHEMBL3264158) Show SMILES CCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1 Show InChI InChI=1S/C26H26N3O3P/c1-2-33(30,31)18-21-11-8-12-22(15-21)29-26-16-24(27-19-28-26)23-13-6-7-14-25(23)32-17-20-9-4-3-5-10-20/h3-16,19H,2,17-18H2,1H3,(H,30,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
					More data for this Ligand-Target Pair