BDBM50013438 CHEMBL3264108

SMILES: CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)OCC

InChI Key: InChIKey=GSAVDTFDQZGCCB-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 = 50013438   

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))	BDBM50013438 (CHEMBL3264108) Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1)OCC Show InChI InChI=1S/C23H28N3O3P/c1-4-13-30(27,29-5-2)16-18-9-8-10-19(14-18)26-23-15-21(24-17-25-23)20-11-6-7-12-22(20)28-3/h6-12,14-15,17H,4-5,13,16H2,1-3H3,(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 Patents Similars	Article PubMed	n/a	n/a	296	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