BDBM50431344 CHEMBL2348653

SMILES: CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

InChI Key: InChIKey=ZTSNAFZQMAUJCQ-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50431344   

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))	BDBM50431344 (CHEMBL2348653) Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C16H13F3N6O2S/c1-20-15-24-12(8-16(17,18)19)13(28-15)11-5-6-21-14(23-11)22-9-3-2-4-10(7-9)25(26)27/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)	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	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50431344 (CHEMBL2348653) Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C16H13F3N6O2S/c1-20-15-24-12(8-16(17,18)19)13(28-15)11-5-6-21-14(23-11)22-9-3-2-4-10(7-9)25(26)27/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50431344 (CHEMBL2348653) Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C16H13F3N6O2S/c1-20-15-24-12(8-16(17,18)19)13(28-15)11-5-6-21-14(23-11)22-9-3-2-4-10(7-9)25(26)27/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50431344 (CHEMBL2348653) Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C16H13F3N6O2S/c1-20-15-24-12(8-16(17,18)19)13(28-15)11-5-6-21-14(23-11)22-9-3-2-4-10(7-9)25(26)27/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis				J Med Chem 56: 640-59 (2013) Article DOI: 10.1021/jm301475f BindingDB Entry DOI: 10.7270/Q26D5VBB
					More data for this Ligand-Target Pair