BDBM50391212 CHEMBL2088827

SMILES: Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12

InChI Key: InChIKey=ZGYYSZDEERINCY-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 = 50391212   

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 1 (CDK1) (Homo sapiens (Human))	BDBM50391212 (CHEMBL2088827) Show SMILES Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12 Show InChI InChI=1S/C18H16N6O2S/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-12-5-4-6-13(11-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	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 9 (CDK9) (Homo sapiens (Human))	BDBM50391212 (CHEMBL2088827) Show SMILES Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12 Show InChI InChI=1S/C18H16N6O2S/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-12-5-4-6-13(11-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22)	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	98	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 7 (CDK7) (Homo sapiens (Human))	BDBM50391212 (CHEMBL2088827) Show SMILES Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12 Show InChI InChI=1S/C18H16N6O2S/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-12-5-4-6-13(11-12)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,21,22)	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