Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'patel' and Initial = 'cb'   

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 epsilon (Homo sapiens (Human))	BDBM27450 (5-[5-(3-hydroxypropoxy)-6-methoxy-1H-1,3-benzodiaz...) Show SMILES COc1cc2n(cnc2cc1OCCCO)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N Show InChI InChI=1S/C24H20F3N3O4S/c1-32-19-10-18-17(9-20(19)33-8-4-7-31)29-14-30(18)23-11-21(22(12-28)35-23)34-13-15-5-2-3-6-16(15)24(25,26)27/h2-3,5-6,9-11,14,31H,4,7-8,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27452 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27449 (5-{6-methoxy-5-[2-(morpholin-4-yl)ethoxy]-1H-1,3-b...) Show SMILES COc1cc2n(cnc2cc1OCCN1CCOCC1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N Show InChI InChI=1S/C27H25F3N4O4S/c1-35-22-13-21-20(12-23(22)37-11-8-33-6-9-36-10-7-33)32-17-34(21)26-14-24(25(15-31)39-26)38-16-18-4-2-3-5-19(18)27(28,29)30/h2-5,12-14,17H,6-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27476 (2-amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benz...) Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1 Show InChI InChI=1S/C18H16N4O3S/c19-17-15(12-1-3-14(4-2-12)26(21,24)25)9-13(10-16(17)18(20)23)11-5-7-22-8-6-11/h1-10H,19H2,(H2,20,23)(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	79	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27467 (2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)be...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM27444 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC Show InChI InChI=1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM27443 (5-(1H-1,3-benzodiazol-1-yl)-3-[(4-methylphenyl)met...) Show SMILES Cc1ccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O2S/c1-13-6-8-14(9-7-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27477 (2-amino-5-(4-methanesulfonylphenyl)-3-(4-sulfamoyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H19N3O5S2/c1-29(25,26)15-6-2-12(3-7-15)14-10-17(19(21)18(11-14)20(22)24)13-4-8-16(9-5-13)30(23,27)28/h2-11H,21H2,1H3,(H2,22,24)(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	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27489 (2-amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-ph...) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C21H22N4O3S/c22-10-11-25-29(27,28)17-8-6-15(7-9-17)18-12-16(14-4-2-1-3-5-14)13-19(20(18)23)21(24)26/h1-9,12-13,25H,10-11,22-23H2,(H2,24,26)	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27466 (2-amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)be...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(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	200	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27490 (2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...) Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)	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	251	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27476 (2-amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benz...) Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1 Show InChI InChI=1S/C18H16N4O3S/c19-17-15(12-1-3-14(4-2-12)26(21,24)25)9-13(10-16(17)18(20)23)11-5-7-22-8-6-11/h1-10H,19H2,(H2,20,23)(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	251	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27448 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(t...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H16F3N3O3S/c1-29-17-7-15-16(8-18(17)30-2)28(12-27-15)21-9-19(20(10-26)32-21)31-11-13-5-3-4-6-14(13)22(23,24)25/h3-9,12H,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	251	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27471 (2-amino-5-phenyl-3-(4-sulfamoylphenyl)benzamide | ...) Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-18-16(13-6-8-15(9-7-13)26(22,24)25)10-14(11-17(18)19(21)23)12-4-2-1-3-5-12/h1-11H,20H2,(H2,21,23)(H2,22,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	251	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27492 (2-amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]s...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3S/c26-24-22(16-20(17-23(24)25(27)30)18-6-2-1-3-7-18)19-8-10-21(11-9-19)33(31,32)28-12-15-29-13-4-5-14-29/h1-3,6-11,16-17,28H,4-5,12-15,26H2,(H2,27,30)	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	251	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM27446 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxola...) Show SMILES COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C(N)=O)c2cc1OC Show InChI InChI=1S/C19H21N3O5S/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)27-9-11-4-3-5-26-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,23)	PDB MMDB 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	251	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27488 (2-amino-3-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C26H30N4O4S/c27-25-23(17-21(18-24(25)26(28)31)19-5-2-1-3-6-19)20-7-9-22(10-8-20)35(32,33)29-11-4-12-30-13-15-34-16-14-30/h1-3,5-10,17-18,29H,4,11-16,27H2,(H2,28,31)	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	316	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27487 (2-amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}p...) Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C24H28N4O3S/c1-28(2)14-6-13-27-32(30,31)20-11-9-18(10-12-20)21-15-19(17-7-4-3-5-8-17)16-22(23(21)25)24(26)29/h3-5,7-12,15-16,27H,6,13-14,25H2,1-2H3,(H2,26,29)	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	316	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27491 (2-amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-pheny...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3S/c23-21-19(12-16(13-20(21)22(24)26)14-4-2-1-3-5-14)15-6-10-18(11-7-15)29(27,28)25-17-8-9-17/h1-7,10-13,17,25H,8-9,23H2,(H2,24,26)	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	316	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27467 (2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)be...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27478 (2-amino-5-(4-methanesulfonylphenyl)-3-[4-(pyrrolid...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C24H25N3O5S2/c1-33(29,30)19-8-4-16(5-9-19)18-14-21(23(25)22(15-18)24(26)28)17-6-10-20(11-7-17)34(31,32)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,25H2,1H3,(H2,26,28)	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	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27466 (2-amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)be...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(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	501	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM27445 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-18-8-16-17(9-19(18)29-2)25(13-24-16)22-10-20(21(11-23)31-22)30-12-14-4-6-15(7-5-14)32(3,26)27/h4-10,13H,12H2,1-3H3	PDB MMDB 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	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27489 (2-amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-ph...) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C21H22N4O3S/c22-10-11-25-29(27,28)17-8-6-15(7-9-17)18-12-16(14-4-2-1-3-5-14)13-19(20(18)23)21(24)26/h1-9,12-13,25H,10-11,22-23H2,(H2,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27465 (2-amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sul...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22FN3O3S/c24-18-7-3-15(4-8-18)17-13-20(22(25)21(14-17)23(26)28)16-5-9-19(10-6-16)31(29,30)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,25H2,(H2,26,28)	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	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27490 (2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...) Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27447 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxola...) Show SMILES COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C19H19N3O4S/c1-23-15-6-13-14(7-16(15)24-2)22(11-21-13)19-8-17(18(9-20)27-19)26-10-12-4-3-5-25-12/h6-8,11-12H,3-5,10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	794	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27492 (2-amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]s...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3S/c26-24-22(16-20(17-23(24)25(27)30)18-6-2-1-3-7-18)19-8-10-21(11-9-19)33(31,32)28-12-15-29-13-4-5-14-29/h1-3,6-11,16-17,28H,4-5,12-15,26H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM27452 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-me...) Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	7.2	22
GSK					Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27471 (2-amino-5-phenyl-3-(4-sulfamoylphenyl)benzamide | ...) Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-18-16(13-6-8-15(9-7-13)26(22,24)25)10-14(11-17(18)19(21)23)12-4-2-1-3-5-12/h1-11H,20H2,(H2,21,23)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27456 (5-(1H-1,3-benzodiazol-1-yl)-3-(benzyloxy)thiophene...) Show SMILES N#Cc1sc(cc1OCc1ccccc1)-n1cnc2ccccc12 Show InChI InChI=1S/C19H13N3OS/c20-11-18-17(23-12-14-6-2-1-3-7-14)10-19(24-18)22-13-21-15-8-4-5-9-16(15)22/h1-10,13H,12H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27487 (2-amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}p...) Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C24H28N4O3S/c1-28(2)14-6-13-27-32(30,31)20-11-9-18(10-12-20)21-15-19(17-7-4-3-5-8-17)16-22(23(21)25)24(26)29/h3-5,7-12,15-16,27H,6,13-14,25H2,1-2H3,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27485 (2-hydroxy-3-(4-methanesulfonamidophenyl)-5-phenylb...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccccc1 Show InChI InChI=1S/C20H18N2O4S/c1-27(25,26)22-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)23)20(21)24/h2-12,22-23H,1H3,(H2,21,24)	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	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27488 (2-amino-3-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C26H30N4O4S/c27-25-23(17-21(18-24(25)26(28)31)19-5-2-1-3-6-19)20-7-9-22(10-8-20)35(32,33)29-11-4-12-30-13-15-34-16-14-30/h1-3,5-10,17-18,29H,4,11-16,27H2,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27491 (2-amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-pheny...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3S/c23-21-19(12-16(13-20(21)22(24)26)14-4-2-1-3-5-14)15-6-10-18(11-7-15)29(27,28)25-17-8-9-17/h1-7,10-13,17,25H,8-9,23H2,(H2,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27484 (5-(4-chlorophenyl)-2-hydroxy-3-(4-sulfamoylphenyl)...) Show SMILES NC(=O)c1cc(cc(c1O)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClN2O4S/c20-14-5-1-11(2-6-14)13-9-16(18(23)17(10-13)19(21)24)12-3-7-15(8-4-12)27(22,25)26/h1-10,23H,(H2,21,24)(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	1.59E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27476 (2-amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benz...) Show SMILES NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1 Show InChI InChI=1S/C18H16N4O3S/c19-17-15(12-1-3-14(4-2-12)26(21,24)25)9-13(10-16(17)18(20)23)11-5-7-22-8-6-11/h1-10H,19H2,(H2,20,23)(H2,21,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27453 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[2-(mo...) Show SMILES COc1cc2ncn(-c3cc(OCCN4CCOCC4)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C20H22N4O4S/c1-25-16-9-14-15(10-17(16)26-2)24(13-22-14)20-11-18(19(12-21)29-20)28-8-5-23-3-6-27-7-4-23/h9-11,13H,3-8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27459 (3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy...) Show SMILES COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C#N)c2cc1OC |r| Show InChI InChI=1S/C22H18ClN3O3S/c1-13(14-6-4-5-7-15(14)23)29-20-10-22(30-21(20)11-24)26-12-25-16-8-18(27-2)19(28-3)9-17(16)26/h4-10,12-13H,1-3H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27464 (2-amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzami...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H14FN3O/c19-14-3-1-11(2-4-14)13-9-15(12-5-7-22-8-6-12)17(20)16(10-13)18(21)23/h1-10H,20H2,(H2,21,23)	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	1.59E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27469 (2-amino-3-(4-methanesulfonamidophenyl)-5-phenylben...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1 Show InChI InChI=1S/C20H19N3O3S/c1-27(25,26)23-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)21)20(22)24/h2-12,23H,21H2,1H3,(H2,22,24)	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	1.59E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27468 (2-amino-5-(4-chlorophenyl)-3-(4-methanesulfonamido...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClN3O3S/c1-28(26,27)24-16-8-4-13(5-9-16)17-10-14(11-18(19(17)22)20(23)25)12-2-6-15(21)7-3-12/h2-11,24H,22H2,1H3,(H2,23,25)	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	1.59E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27485 (2-hydroxy-3-(4-methanesulfonamidophenyl)-5-phenylb...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccccc1 Show InChI InChI=1S/C20H18N2O4S/c1-27(25,26)22-16-9-7-14(8-10-16)17-11-15(13-5-3-2-4-6-13)12-18(19(17)23)20(21)24/h2-12,22-23H,1H3,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27477 (2-amino-5-(4-methanesulfonylphenyl)-3-(4-sulfamoyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H19N3O5S2/c1-29(25,26)15-6-2-12(3-7-15)14-10-17(19(21)18(11-14)20(22)24)13-4-8-16(9-5-13)30(23,27)28/h2-11H,21H2,1H3,(H2,22,24)(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	2.00E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27484 (5-(4-chlorophenyl)-2-hydroxy-3-(4-sulfamoylphenyl)...) Show SMILES NC(=O)c1cc(cc(c1O)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H15ClN2O4S/c20-14-5-1-11(2-6-14)13-9-16(18(23)17(10-13)19(21)24)12-3-7-15(8-4-12)27(22,25)26/h1-10,23H,(H2,21,24)(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	2.00E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27454 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-hydrox...) Show SMILES COc1cc2ncn(-c3cc(O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C14H11N3O3S/c1-19-11-3-8-9(4-12(11)20-2)17(7-16-8)14-5-10(18)13(6-15)21-14/h3-5,7,18H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt 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	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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27465 (2-amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sul...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22FN3O3S/c24-18-7-3-15(4-8-18)17-13-20(22(25)21(14-17)23(26)28)16-5-9-19(10-6-16)31(29,30)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,25H2,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM27475 (2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...) Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1 Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27455 (3-(cyclopropylmethoxy)-5-(5,6-dimethoxy-1H-1,3-ben...) Show SMILES COc1cc2ncn(-c3cc(OCC4CC4)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C18H17N3O3S/c1-22-14-5-12-13(6-15(14)23-2)21(10-20-12)18-7-16(17(8-19)25-18)24-9-11-3-4-11/h5-7,10-11H,3-4,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt 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...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27475 (2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...) Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1 Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	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	3.98E+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...				Bioorg Med Chem Lett 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
					More data for this Ligand-Target Pair

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