BDBM50013456 CHEMBL3264124

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

InChI Key: InChIKey=CQZOWVMFPZAQFL-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 = 50013456   

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))	BDBM50013456 (CHEMBL3264124) Show SMILES CCCP(O)(=O)Cc1cccc(Nc2cc(ncn2)-c2ccccc2OC)c1 Show InChI InChI=1S/C21H24N3O3P/c1-3-11-28(25,26)14-16-7-6-8-17(12-16)24-21-13-19(22-15-23-21)18-9-4-5-10-20(18)27-2/h4-10,12-13,15H,3,11,14H2,1-2H3,(H,25,26)(H,22,23,24)	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	261	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