BDBM29427 7-alkoxyisoquinoline, 37

SMILES: CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1

InChI Key: InChIKey=FACNLZWWUQUMDA-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 = 29427   

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 alpha (Homo sapiens (Human))	BDBM29427 (7-alkoxyisoquinoline, 37) Show SMILES CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C23H26N2O3S/c1-2-29(26,27)25-12-9-18(10-13-25)17-28-23-15-21-16-24-11-8-20(21)14-22(23)19-6-4-3-5-7-19/h3-8,11,14-16,18H,2,9-10,12-13,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29427 (7-alkoxyisoquinoline, 37) Show SMILES CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C23H26N2O3S/c1-2-29(26,27)25-12-9-18(10-13-25)17-28-23-15-21-16-24-11-8-20(21)14-22(23)19-6-4-3-5-7-19/h3-8,11,14-16,18H,2,9-10,12-13,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29427 (7-alkoxyisoquinoline, 37) Show SMILES CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C23H26N2O3S/c1-2-29(26,27)25-12-9-18(10-13-25)17-28-23-15-21-16-24-11-8-20(21)14-22(23)19-6-4-3-5-7-19/h3-8,11,14-16,18H,2,9-10,12-13,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+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