BDBM50013490 CHEMBL3264157

SMILES: CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1

InChI Key: InChIKey=LDLGEHYWPPYLOH-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 = 50013490   

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))	BDBM50013490 (CHEMBL3264157) Show SMILES CCOP(=O)(CC)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1 Show InChI InChI=1S/C28H30N3O3P/c1-3-34-35(32,4-2)20-23-13-10-14-24(17-23)31-28-18-26(29-21-30-28)25-15-8-9-16-27(25)33-19-22-11-6-5-7-12-22/h5-18,21H,3-4,19-20H2,1-2H3,(H,29,30,31)	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	212	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