BDBM50134089 CHEMBL3735502

SMILES: CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1

InChI Key: InChIKey=QWUFJOPBOHFZST-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50134089   

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
CDK2/CycE (Homo sapiens (Human))	BDBM50134089 (CHEMBL3735502) Show SMILES CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 Show InChI InChI=1S/C20H20F2N6O/c1-28(2)12-18(29)24-15-4-3-5-16(10-15)26-20-23-11-17(22)19(27-20)25-14-8-6-13(21)7-9-14/h3-11H,12H2,1-2H3,(H,24,29)(H2,23,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...				Medchemcomm 6: 444-454 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G9D
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50134089 (CHEMBL3735502) Show SMILES CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 Show InChI InChI=1S/C20H20F2N6O/c1-28(2)12-18(29)24-15-4-3-5-16(10-15)26-20-23-11-17(22)19(27-20)25-14-8-6-13(21)7-9-14/h3-11H,12H2,1-2H3,(H,24,29)(H2,23,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography				Medchemcomm 6: 444-454 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G9D
					More data for this Ligand-Target Pair