BDBM50423758 CHEMBL598994

SMILES: COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1

InChI Key: InChIKey=JILRFQCHFBJCKL-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 = 50423758   

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))	BDBM50423758 (CHEMBL598994) Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1 Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews Curated by ChEMBL					Assay Description inhibition of CDK1/Cyclin B				J Med Chem 53: 2136-45 (2010) Article DOI: 10.1021/jm901660c BindingDB Entry DOI: 10.7270/Q2377B0R
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50423758 (CHEMBL598994) Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1 Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews Curated by ChEMBL					Assay Description inhibition of CDK9/CyclinT1				J Med Chem 53: 2136-45 (2010) Article DOI: 10.1021/jm901660c BindingDB Entry DOI: 10.7270/Q2377B0R
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50423758 (CHEMBL598994) Show SMILES COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1 Show InChI InChI=1S/C16H15N5OS/c1-9-19-12-5-3-10-7-18-16(21-14(10)15(12)23-9)20-11-4-6-13(22-2)17-8-11/h4,6-8H,3,5H2,1-2H3,(H,18,20,21)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of St. Andrews Curated by ChEMBL					Assay Description inhibition of CDK7/Cyclin H/MAT1				J Med Chem 53: 2136-45 (2010) Article DOI: 10.1021/jm901660c BindingDB Entry DOI: 10.7270/Q2377B0R
					More data for this Ligand-Target Pair