BDBM50391210 CHEMBL2088840

SMILES: NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1

InChI Key: InChIKey=VLROOZRSNWRFKW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50391210   

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))	BDBM50391210 (CHEMBL2088840) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)	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	17	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 CDK9/cyclin-T1 by radiometric assay				Eur J Med Chem 57: 311-22 (2012) Article DOI: 10.1016/j.ejmech.2012.09.034 BindingDB Entry DOI: 10.7270/Q2GX4CNV
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50391210 (CHEMBL2088840) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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 CDK1/cyclin B by radiometric assay				Eur J Med Chem 57: 311-22 (2012) Article DOI: 10.1016/j.ejmech.2012.09.034 BindingDB Entry DOI: 10.7270/Q2GX4CNV
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50391210 (CHEMBL2088840) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)	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 CDK7/cyclin-H by radiometric assay				Eur J Med Chem 57: 311-22 (2012) Article DOI: 10.1016/j.ejmech.2012.09.034 BindingDB Entry DOI: 10.7270/Q2GX4CNV
					More data for this Ligand-Target Pair