BDBM50013480 CHEMBL3264147

SMILES: CCCOc1ccccc1-c1cc(Nc2cccc(CP(=O)(CCC)OCC)c2)ncn1

InChI Key: InChIKey=PMDRPCHUVAKILA-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 = 50013480   

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))	BDBM50013480 (CHEMBL3264147) Show SMILES CCCOc1ccccc1-c1cc(Nc2cccc(CP(=O)(CCC)OCC)c2)ncn1 Show InChI InChI=1S/C25H32N3O3P/c1-4-14-30-24-13-8-7-12-22(24)23-17-25(27-19-26-23)28-21-11-9-10-20(16-21)18-32(29,15-5-2)31-6-3/h7-13,16-17,19H,4-6,14-15,18H2,1-3H3,(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	248	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