Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 3215   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29411 (7-alkoxyisoquinoline, 21) Show SMILES C1CC(CCN1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-15(5-3-1)19-12-16-6-9-22-14-17(16)13-20(19)23-18-7-10-21-11-8-18/h1-6,9,12-14,18,21H,7-8,10-11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM29410 (7-alkoxyisoquinoline, 20) Show SMILES NCc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O/c22-13-15-1-3-16(4-2-15)20-11-17-5-8-24-14-18(17)12-21(20)25-19-6-9-23-10-7-19/h1-5,8,11-12,14,19,23H,6-7,9-10,13,22H2	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	126	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 beta (Homo sapiens (Human))	BDBM29421 (7-alkoxyisoquinoline, 31) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCCNC1 Show InChI InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-3,6-8,10-12,14,16,22H,4-5,9,13,15H2	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	158	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 beta (Homo sapiens (Human))	BDBM29423 (7-alkoxyisoquinoline, 33) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-5-3-16(4-6-19)20-10-17-7-9-24-13-18(17)11-21(20)27-14-15-2-1-8-23-12-15/h3-7,9-11,13,15,23H,1-2,8,12,14H2,(H2,22,25,26)	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	158	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 beta (Homo sapiens (Human))	BDBM29408 (7-alkoxyisoquinoline, 18) Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26)	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	398	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 beta (Homo sapiens (Human))	BDBM29412 (7-alkoxyisoquinoline, 22) Show SMILES Brc1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2	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	398	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 beta (Homo sapiens (Human))	BDBM29420 (7-alkoxyisoquinoline, 30) Show SMILES C1CNCC(C1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2	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	631	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 beta (Homo sapiens (Human))	BDBM29425 (7-alkoxyisoquinoline, 35) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-3-1-16(2-4-19)20-11-17-7-10-24-13-18(17)12-21(20)27-14-15-5-8-23-9-6-15/h1-4,7,10-13,15,23H,5-6,8-9,14H2,(H2,22,25,26)	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	631	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 beta (Homo sapiens (Human))	BDBM29409 (7-alkoxyisoquinoline, 19) Show SMILES NCc1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O/c22-13-15-2-1-3-17(10-15)20-11-16-4-7-24-14-18(16)12-21(20)25-19-5-8-23-9-6-19/h1-4,7,10-12,14,19,23H,5-6,8-9,13,22H2	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	794	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 beta (Homo sapiens (Human))	BDBM29422 (7-alkoxyisoquinoline, 32) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-5-3-14(4-6-18)19-10-15-7-9-23-12-16(15)11-20(19)26-17-2-1-8-22-13-17/h3-7,9-12,17,22H,1-2,8,13H2,(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	794	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 beta (Homo sapiens (Human))	BDBM29418 (7-alkoxyisoquinoline, 28) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H25N3O5S2/c1-2-31(26,27)25-11-8-19(9-12-25)30-22-14-18-15-24-10-7-17(18)13-21(22)16-3-5-20(6-4-16)32(23,28)29/h3-7,10,13-15,19H,2,8-9,11-12H2,1H3,(H2,23,28,29)	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	1.00E+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 beta (Homo sapiens (Human))	BDBM29416 (7-alkoxyisoquinoline, 26) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H23N3O4S/c1-15(26)25-10-7-19(8-11-25)29-22-13-18-14-24-9-6-17(18)12-21(22)16-2-4-20(5-3-16)30(23,27)28/h2-6,9,12-14,19H,7-8,10-11H2,1H3,(H2,23,27,28)	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	1.26E+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 beta (Homo sapiens (Human))	BDBM29406 (7-alkoxyisoquinoline, 16) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(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	1.26E+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 beta (Homo sapiens (Human))	BDBM29424 (7-alkoxyisoquinoline, 34) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCNCC1 Show InChI InChI=1S/C21H22N2O/c1-2-4-17(5-3-1)20-12-18-8-11-23-14-19(18)13-21(20)24-15-16-6-9-22-10-7-16/h1-5,8,11-14,16,22H,6-7,9-10,15H2	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	1.26E+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 beta (Homo sapiens (Human))	BDBM29426 (7-alkoxyisoquinoline, 36) Show SMILES CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3S/c1-28(2)13-6-16-33(30,31)29-14-10-21(11-15-29)20-32-26-18-24-19-27-12-9-23(24)17-25(26)22-7-4-3-5-8-22/h3-5,7-9,12,17-19,21H,6,10-11,13-16,20H2,1-2H3	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	1.26E+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 beta (Homo sapiens (Human))	BDBM29417 (7-alkoxyisoquinoline, 27) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H24N2O3S/c1-2-28(25,26)24-12-9-20(10-13-24)27-22-15-19-16-23-11-8-18(19)14-21(22)17-6-4-3-5-7-17/h3-8,11,14-16,20H,2,9-10,12-13H2,1H3	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+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 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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29411 (7-alkoxyisoquinoline, 21) Show SMILES C1CC(CCN1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-15(5-3-1)19-12-16-6-9-22-14-17(16)13-20(19)23-18-7-10-21-11-8-18/h1-6,9,12-14,18,21H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+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 alpha (Homo sapiens (Human))	BDBM29421 (7-alkoxyisoquinoline, 31) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCCNC1 Show InChI InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-3,6-8,10-12,14,16,22H,4-5,9,13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+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))	BDBM29431 (benzyloxyisoquinoline, 7) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-6-17(7-9-20)21-12-18-10-11-24-14-19(18)13-22(21)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,23,25,26)	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	3.16E+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 beta (Homo sapiens (Human))	BDBM29415 (7-alkoxyisoquinoline, 25) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3	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	3.16E+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))	BDBM29408 (7-alkoxyisoquinoline, 18) Show SMILES NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)14-15-1-3-16(4-2-15)20-11-17-5-8-24-13-18(17)12-21(20)27-19-6-9-23-10-7-19/h1-5,8,11-13,19,23H,6-7,9-10,14H2,(H2,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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 alpha (Homo sapiens (Human))	BDBM29420 (7-alkoxyisoquinoline, 30) Show SMILES C1CNCC(C1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C20H20N2O/c1-2-5-15(6-3-1)19-11-16-8-10-22-13-17(16)12-20(19)23-18-7-4-9-21-14-18/h1-3,5-6,8,10-13,18,21H,4,7,9,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+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))	BDBM29428 (7-alkoxyisoquinoline, 38) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2	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	3.98E+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 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 beta (Homo sapiens (Human))	BDBM29429 (7-alkoxyisoquinoline, 39) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H16N2O/c1-2-4-17(5-3-1)20-12-18-8-11-23-14-19(18)13-21(20)24-15-16-6-9-22-10-7-16/h1-14H,15H2	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))	BDBM29423 (7-alkoxyisoquinoline, 33) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-5-3-16(4-6-19)20-10-17-7-9-24-13-18(17)11-21(20)27-14-15-2-1-8-23-12-15/h3-7,9-11,13,15,23H,1-2,8,12,14H2,(H2,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+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))	BDBM29419 (7-alkoxyisoquinoline, 29) Show SMILES C1CC(CCN1)Oc1ccc2ccncc2c1 Show InChI InChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2	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))	BDBM29410 (7-alkoxyisoquinoline, 20) Show SMILES NCc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O/c22-13-15-1-3-16(4-2-15)20-11-17-5-8-24-14-18(17)12-21(20)25-19-6-9-23-10-7-19/h1-5,8,11-12,14,19,23H,6-7,9-10,13,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+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 alpha (Homo sapiens (Human))	BDBM29406 (7-alkoxyisoquinoline, 16) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(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 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))	BDBM29430 (benzyloxyisoquinoline, 6) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-4-7-18(11-20)21-12-17-9-10-24-14-19(17)13-22(21)27-15-16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,25,26)	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	7.94E+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))	BDBM29412 (7-alkoxyisoquinoline, 22) Show SMILES Brc1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C14H15BrN2O/c15-13-7-10-1-4-17-9-11(10)8-14(13)18-12-2-5-16-6-3-12/h1,4,7-9,12,16H,2-3,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 alpha (Homo sapiens (Human))	BDBM29424 (7-alkoxyisoquinoline, 34) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCNCC1 Show InChI InChI=1S/C21H22N2O/c1-2-4-17(5-3-1)20-12-18-8-11-23-14-19(18)13-21(20)24-15-16-6-9-22-10-7-16/h1-5,8,11-14,16,22H,6-7,9-10,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 alpha (Homo sapiens (Human))	BDBM29426 (7-alkoxyisoquinoline, 36) Show SMILES CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3S/c1-28(2)13-6-16-33(30,31)29-14-10-21(11-15-29)20-32-26-18-24-19-27-12-9-23(24)17-25(26)22-7-4-3-5-8-22/h3-5,7-9,12,17-19,21H,6,10-11,13-16,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 alpha (Homo sapiens (Human))	BDBM29417 (7-alkoxyisoquinoline, 27) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H24N2O3S/c1-2-28(25,26)24-12-9-20(10-13-24)27-22-15-19-16-23-11-8-18(19)14-21(22)17-6-4-3-5-7-17/h3-8,11,14-16,20H,2,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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 alpha (Homo sapiens (Human))	BDBM29409 (7-alkoxyisoquinoline, 19) Show SMILES NCc1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1 Show InChI InChI=1S/C21H23N3O/c22-13-15-2-1-3-17(10-15)20-11-16-4-7-24-14-18(16)12-21(20)25-19-5-8-23-9-6-19/h1-4,7,10-12,14,19,23H,5-6,8-9,13,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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))	BDBM29414 (7-alkoxyisoquinoline, 24) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br Show InChI InChI=1S/C16H17BrN2O2/c1-11(20)19-6-3-14(4-7-19)21-16-9-13-10-18-5-2-12(13)8-15(16)17/h2,5,8-10,14H,3-4,6-7H2,1H3	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	1.26E+4	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))	BDBM29422 (7-alkoxyisoquinoline, 32) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1 Show InChI InChI=1S/C20H21N3O3S/c21-27(24,25)18-5-3-14(4-6-18)19-10-15-7-9-23-12-16(15)11-20(19)26-17-2-1-8-22-13-17/h3-7,9-12,17,22H,1-2,8,13H2,(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	1.26E+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 alpha (Homo sapiens (Human))	BDBM29415 (7-alkoxyisoquinoline, 25) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1 Show InChI InChI=1S/C22H22N2O2/c1-16(25)24-11-8-20(9-12-24)26-22-14-19-15-23-10-7-18(19)13-21(22)17-5-3-2-4-6-17/h2-7,10,13-15,20H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+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 alpha (Homo sapiens (Human))	BDBM29425 (7-alkoxyisoquinoline, 35) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1 Show InChI InChI=1S/C21H23N3O3S/c22-28(25,26)19-3-1-16(2-4-19)20-11-17-7-10-24-13-18(17)12-21(20)27-14-15-5-8-23-9-6-15/h1-4,7,10-13,15,23H,5-6,8-9,14H2,(H2,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+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 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 alpha (Homo sapiens (Human))	BDBM29430 (benzyloxyisoquinoline, 6) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-4-7-18(11-20)21-12-17-9-10-24-14-19(17)13-22(21)27-15-16-5-2-1-3-6-16/h1-14H,15H2,(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29414 (7-alkoxyisoquinoline, 24) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br Show InChI InChI=1S/C16H17BrN2O2/c1-11(20)19-6-3-14(4-7-19)21-16-9-13-10-18-5-2-12(13)8-15(16)17/h2,5,8-10,14H,3-4,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29416 (7-alkoxyisoquinoline, 26) Show SMILES CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H23N3O4S/c1-15(26)25-10-7-19(8-11-25)29-22-13-18-14-24-9-6-17(18)12-21(22)16-2-4-20(5-3-16)30(23,27)28/h2-6,9,12-14,19H,7-8,10-11H2,1H3,(H2,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29431 (benzyloxyisoquinoline, 7) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c23-28(25,26)20-8-6-17(7-9-20)21-12-18-10-11-24-14-19(18)13-22(21)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29419 (7-alkoxyisoquinoline, 29) Show SMILES C1CC(CCN1)Oc1ccc2ccncc2c1 Show InChI InChI=1S/C14H16N2O/c1-2-14(17-13-4-7-15-8-5-13)9-12-10-16-6-3-11(1)12/h1-3,6,9-10,13,15H,4-5,7-8H2	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM29428 (7-alkoxyisoquinoline, 38) Show SMILES C(Oc1cc2cnccc2cc1-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C21H16N2O/c1-2-6-17(7-3-1)20-11-18-8-10-23-14-19(18)12-21(20)24-15-16-5-4-9-22-13-16/h1-14H,15H2	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

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