BDBM50013447 CHEMBL3264115

SMILES: CCOP(=O)(CC)Cc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1

InChI Key: InChIKey=HQXFWJDXROHJFM-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 = 50013447   

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))	BDBM50013447 (CHEMBL3264115) Show SMILES CCOP(=O)(CC)Cc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C22H26N3O3P/c1-4-28-29(26,5-2)15-17-10-12-18(13-11-17)25-22-14-20(23-16-24-22)19-8-6-7-9-21(19)27-3/h6-14,16H,4-5,15H2,1-3H3,(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	743	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