BDBM50013601 CHEMBL3264100

SMILES: CCOP(=O)(OCC)C(O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1

InChI Key: InChIKey=URSXGACDJHBFJN-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 = 50013601   

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))	BDBM50013601 (CHEMBL3264100) Show SMILES CCOP(=O)(OCC)C(O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C22H26N3O5P/c1-4-29-31(27,30-5-2)22(26)16-10-12-17(13-11-16)25-21-14-19(23-15-24-21)18-8-6-7-9-20(18)28-3/h6-15,22,26H,4-5H2,1-3H3,(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	510	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