BDBM29407 7-alkoxyisoquinoline, 17

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1

InChI Key: InChIKey=WSLJHPIECPXNSM-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 = 29407   

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))	BDBM29407 (7-alkoxyisoquinoline, 17) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-14(2-4-18)19-11-15-5-8-23-13-16(15)12-20(19)26-17-6-9-22-10-7-17/h1-5,8,11-13,17,22H,6-7,9-10H2,(H2,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	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))	BDBM29407 (7-alkoxyisoquinoline, 17) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-14(2-4-18)19-11-15-5-8-23-13-16(15)12-20(19)26-17-6-9-22-10-7-17/h1-5,8,11-13,17,22H,6-7,9-10H2,(H2,21,24,25)	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	100	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))	BDBM29407 (7-alkoxyisoquinoline, 17) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-14(2-4-18)19-11-15-5-8-23-13-16(15)12-20(19)26-17-6-9-22-10-7-17/h1-5,8,11-13,17,22H,6-7,9-10H2,(H2,21,24,25)	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	100	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