BDBM50013598 CHEMBL3263805

SMILES: CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)OCC

InChI Key: InChIKey=UZYITJZOYUMOQZ-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 = 50013598   

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-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50013598 (CHEMBL3263805) Show SMILES CCOP(=O)(Cc1cccc(Nc2cc(ncn2)-c2cccc(N)c2)c1)OCC Show InChI InChI=1S/C21H25N4O3P/c1-3-27-29(26,28-4-2)14-16-7-5-10-19(11-16)25-21-13-20(23-15-24-21)17-8-6-9-18(22)12-17/h5-13,15H,3-4,14,22H2,1-2H3,(H,23,24,25)	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	332	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