BDBM7335 5-(4-aminobutoxy)-14-bromo-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 hydrochloride::NSC 716977::Paullone Analogue 70

SMILES: NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1

InChI Key: InChIKey=MAQBOTRSBYDGOL-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 = 7335   

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))	BDBM7335 (5-(4-aminobutoxy)-14-bromo-8,18-diazatetracyclo[9....) Show SMILES NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1 Show InChI InChI=1S/C20H20BrN3O2/c21-12-3-6-17-15(9-12)16-11-19(25)23-18-10-13(26-8-2-1-7-22)4-5-14(18)20(16)24-17/h3-6,9-10,24H,1-2,7-8,11,22H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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))	BDBM7335 (5-(4-aminobutoxy)-14-bromo-8,18-diazatetracyclo[9....) Show SMILES NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1 Show InChI InChI=1S/C20H20BrN3O2/c21-12-3-6-17-15(9-12)16-11-19(25)23-18-10-13(26-8-2-1-7-22)4-5-14(18)20(16)24-17/h3-6,9-10,24H,1-2,7-8,11,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM7335 (5-(4-aminobutoxy)-14-bromo-8,18-diazatetracyclo[9....) Show SMILES NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1 Show InChI InChI=1S/C20H20BrN3O2/c21-12-3-6-17-15(9-12)16-11-19(25)23-18-10-13(26-8-2-1-7-22)4-5-14(18)20(16)24-17/h3-6,9-10,24H,1-2,7-8,11,22H2,(H,23,25)	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	4.20E+5	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