BDBM50013462 CHEMBL3264130

SMILES: CCOP(=O)(c1ccccc1)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1

InChI Key: InChIKey=MNVXWIJLBYLPNE-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 = 50013462   

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))	BDBM50013462 (CHEMBL3264130) Show SMILES CCOP(=O)(c1ccccc1)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C25H24N3O3P/c1-3-31-32(29,20-9-5-4-6-10-20)21-15-13-19(14-16-21)28-25-17-23(26-18-27-25)22-11-7-8-12-24(22)30-2/h4-18H,3H2,1-2H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	523	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