BDBM29413 7-alkoxyisoquinoline, 23

SMILES: CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br

InChI Key: InChIKey=RZVRUQLUROIFJM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 29413   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29413 (7-alkoxyisoquinoline, 23) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br Show InChI InChI=1S/C16H19BrN2O3S/c1-2-23(20,21)19-7-4-14(5-8-19)22-16-10-13-11-18-6-3-12(13)9-15(16)17/h3,6,9-11,14H,2,4-5,7-8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				J Med Chem 52: 3098-102 (2009) Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29413 (7-alkoxyisoquinoline, 23) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br Show InChI InChI=1S/C16H19BrN2O3S/c1-2-23(20,21)19-7-4-14(5-8-19)22-16-10-13-11-18-6-3-12(13)9-15(16)17/h3,6,9-11,14H,2,4-5,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				J Med Chem 52: 3098-102 (2009) Article DOI: 10.1021/jm9000117 BindingDB Entry DOI: 10.7270/Q27H1GX7
					More data for this Ligand-Target Pair