BDBM50013453 CHEMBL3264121

SMILES: CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C

InChI Key: InChIKey=RGDYNFMUBLZLPH-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 = 50013453   

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))	BDBM50013453 (CHEMBL3264121) Show SMILES CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C Show InChI InChI=1S/C23H28N3O3P/c1-5-29-30(27,6-2)15-18-13-19(12-11-17(18)3)26-23-14-21(24-16-25-23)20-9-7-8-10-22(20)28-4/h7-14,16H,5-6,15H2,1-4H3,(H,24,25,26)	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	366	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