BDBM7339 5-Oxo-4,5,6,11-tetrahydro-thieno[3 ,2 :2,3]azepino[4,5-b]indole-8-carbonitrile::8-oxo-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),2(6),4,11(16),12,14-hexaene-13-carbonitrile::NSC 719341::Paullone Analogue 74

SMILES: O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1

InChI Key: InChIKey=OJYCCGFKNFUHFD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 7339   

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) (Marthasterias glacialis (starfish))	BDBM7339 (5-Oxo-4,5,6,11-tetrahydro-thieno[3 ,2 :2,3]azepino...) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1 Show InChI InChI=1S/C15H9N3OS/c16-7-8-1-2-11-9(5-8)10-6-13(19)17-12-3-4-20-15(12)14(10)18-11/h1-5,18H,6H2,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat))	BDBM7339 (5-Oxo-4,5,6,11-tetrahydro-thieno[3 ,2 :2,3]azepino...) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1 Show InChI InChI=1S/C15H9N3OS/c16-7-8-1-2-11-9(5-8)10-6-13(19)17-12-3-4-20-15(12)14(10)18-11/h1-5,18H,6H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7339 (5-Oxo-4,5,6,11-tetrahydro-thieno[3 ,2 :2,3]azepino...) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1 Show InChI InChI=1S/C15H9N3OS/c16-7-8-1-2-11-9(5-8)10-6-13(19)17-12-3-4-20-15(12)14(10)18-11/h1-5,18H,6H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair