BDBM7329 3-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one::5-methoxy-14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::NSC 720309::Paullone Analogue 64

SMILES: COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O

InChI Key: InChIKey=SKGANWVAQNEQFN-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 7329   

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))	BDBM7329 (3-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-4-11-15(7-10)18-16(21)8-13-12-6-9(20(22)23)2-5-14(12)19-17(11)13/h2-7,19H,8H2,1H3,(H,18,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.2	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))	BDBM7329 (3-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-4-11-15(7-10)18-16(21)8-13-12-6-9(20(22)23)2-5-14(12)19-17(11)13/h2-7,19H,8H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM7329 (3-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-4-11-15(7-10)18-16(21)8-13-12-6-9(20(22)23)2-5-14(12)19-17(11)13/h2-7,19H,8H2,1H3,(H,18,21)	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	630	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