BDBM50013455 CHEMBL3264123

SMILES: CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2cccc(N)c2)ccc1C

InChI Key: InChIKey=IISOQYAOTJHYJA-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 = 50013455   

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))	BDBM50013455 (CHEMBL3264123) Show SMILES CCOP(=O)(CC)Cc1cc(Nc2cc(ncn2)-c2cccc(N)c2)ccc1C Show InChI InChI=1S/C22H27N4O2P/c1-4-28-29(27,5-2)14-18-12-20(10-9-16(18)3)26-22-13-21(24-15-25-22)17-7-6-8-19(23)11-17/h6-13,15H,4-5,14,23H2,1-3H3,(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 Similars	Article PubMed	n/a	n/a	346	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