BDBM50013483 CHEMBL3264150

SMILES: CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1)OCC

InChI Key: InChIKey=YYTWRZPWDPTELP-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013483   

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))	BDBM50013483 (CHEMBL3264150) Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)c1)OCC Show InChI InChI=1S/C29H32N3O3P/c1-3-17-36(33,35-4-2)21-24-13-10-14-25(18-24)32-29-19-27(30-22-31-29)26-15-8-9-16-28(26)34-20-23-11-6-5-7-12-23/h5-16,18-19,22H,3-4,17,20-21H2,1-2H3,(H,30,31,32)	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	143	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