Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'taggart' and Initial = 'jj'   

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))	BDBM50418169 (CHEMBL1761516) Show SMILES CCc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1 Show InChI InChI=1S/C14H15N3O2S/c1-2-8-3-5-9(6-4-8)11-7-10(12(15)18)13(20-11)17-14(16)19/h3-7H,2H2,1H3,(H2,15,18)(H3,16,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418166 (CHEMBL1761513) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418167 (CHEMBL1761514) Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta in human PBMC assessed as TNF-alpha-induced Nuclear factor-kappa-B nuclear translocation				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418177 (CHEMBL1761504) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-9(2-4-12)11-7-10-5-6-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418168 (CHEMBL1761515) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418164 (CHEMBL1761511 | D3RKN_31) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418174 (CHEMBL1761501) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418182 (CHEMBL1761509) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cc2ccccc2o1 Show InChI InChI=1S/C17H12N2O2/c18-17(20)13-8-12(7-11-5-6-19-16(11)13)15-9-10-3-1-2-4-14(10)21-15/h1-9,19H,(H2,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418176 (CHEMBL1761503) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418179 (CHEMBL1761506) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(CO)cc1 Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-5-6-18-15(12)14)11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BTK				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418173 (CHEMBL1761500) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418181 (CHEMBL1761508) Show SMILES COc1ccncc1-c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C15H13N3O2/c1-20-13-3-4-17-8-12(13)10-6-9-2-5-18-14(9)11(7-10)15(16)19/h2-8,18H,1H3,(H2,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418172 (CHEMBL1761499) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1 Show InChI InChI=1S/C15H12N2O/c16-15(18)13-9-12(10-4-2-1-3-5-10)8-11-6-7-17-14(11)13/h1-9,17H,(H2,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BTK				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of c-FMS				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418167 (CHEMBL1761514) Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418178 (CHEMBL1761505) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(CO)c1 Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM42616 (3-bromanyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbo...) Show SMILES NC(=O)c1cc(Br)cc2c3CCCCc3[nH]c12 Show InChI InChI=1S/C13H13BrN2O/c14-7-5-9-8-3-1-2-4-11(8)16-12(9)10(6-7)13(15)17/h5-6,16H,1-4H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418166 (CHEMBL1761513) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of TBK-1				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50418165 (CHEMBL1761512) Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-epsilon				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50418163 (CHEMBL1761510) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of TBK-1				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418182 (CHEMBL1761509) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cc2ccccc2o1 Show InChI InChI=1S/C17H12N2O2/c18-17(20)13-8-12(7-11-5-6-19-16(11)13)15-9-10-3-1-2-4-14(10)21-15/h1-9,19H,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418174 (CHEMBL1761501) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418176 (CHEMBL1761503) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418180 (CHEMBL1964241) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cncnc1 Show InChI InChI=1S/C13H10N4O/c14-13(18)11-4-9(10-5-15-7-16-6-10)3-8-1-2-17-12(8)11/h1-7,17H,(H2,14,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50290547 ((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...) Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(cc1)C(F)(F)F |THB:1:2:9.8:5.6| Show InChI InChI=1S/C27H29F3N2O2/c1-3-16-15-32-11-10-18(16)12-25(32)26(33)22-14-24(17-4-6-19(7-5-17)27(28,29)30)31-23-9-8-20(34-2)13-21(22)23/h4-9,13-14,16,18,25-26,33H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes				Bioorg Med Chem Lett 7: 2673-2676 (1997) Article DOI: 10.1016/S0960-894X(97)10046-4 BindingDB Entry DOI: 10.7270/Q22Z15KZ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50290549 ((R)-[2-(4-Chloro-phenyl)-6-methoxy-quinolin-4-yl]-...) Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Cl)cc1 |THB:1:2:9.8:5.6| Show InChI InChI=1S/C26H29ClN2O2/c1-3-16-15-29-11-10-18(16)12-25(29)26(30)22-14-24(17-4-6-19(27)7-5-17)28-23-9-8-20(31-2)13-21(22)23/h4-9,13-14,16,18,25-26,30H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes				Bioorg Med Chem Lett 7: 2673-2676 (1997) Article DOI: 10.1016/S0960-894X(97)10046-4 BindingDB Entry DOI: 10.7270/Q22Z15KZ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50290549 ((R)-[2-(4-Chloro-phenyl)-6-methoxy-quinolin-4-yl]-...) Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Cl)cc1 |THB:1:2:9.8:5.6| Show InChI InChI=1S/C26H29ClN2O2/c1-3-16-15-29-11-10-18(16)12-25(29)26(30)22-14-24(17-4-6-19(27)7-5-17)28-23-9-8-20(31-2)13-21(22)23/h4-9,13-14,16,18,25-26,30H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its binding affinity towards recombinant human Calcitonin gene-related peptide type receptor (membranes of HEK-293 c...				Bioorg Med Chem Lett 7: 2673-2676 (1997) Article DOI: 10.1016/S0960-894X(97)10046-4 BindingDB Entry DOI: 10.7270/Q22Z15KZ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418177 (CHEMBL1761504) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-9(2-4-12)11-7-10-5-6-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50418175 (CHEMBL1761502) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1Cl Show InChI InChI=1S/C15H11ClN2O/c16-13-4-2-1-3-11(13)10-7-9-5-6-18-14(9)12(8-10)15(17)19/h1-8,18H,(H2,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418168 (CHEMBL1761515) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50290551 ((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...) Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1cccc(c1)C(F)(F)F |THB:1:2:9.8:5.6| Show InChI InChI=1S/C27H29F3N2O2/c1-3-16-15-32-10-9-17(16)12-25(32)26(33)22-14-24(18-5-4-6-19(11-18)27(28,29)30)31-23-8-7-20(34-2)13-21(22)23/h4-8,11,13-14,16-17,25-26,33H,3,9-10,12,15H2,1-2H3/t16?,17?,25?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes				Bioorg Med Chem Lett 7: 2673-2676 (1997) Article DOI: 10.1016/S0960-894X(97)10046-4 BindingDB Entry DOI: 10.7270/Q22Z15KZ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418164 (CHEMBL1761511 | D3RKN_31) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418173 (CHEMBL1761500) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418172 (CHEMBL1761499) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1 Show InChI InChI=1S/C15H12N2O/c16-15(18)13-9-12(10-4-2-1-3-5-10)8-11-6-7-17-14(11)13/h1-9,17H,(H2,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50290558 ((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...) Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Oc2ccccc2)cc1 |THB:1:2:9.8:5.6| Show InChI InChI=1S/C32H34N2O3/c1-3-21-20-34-16-15-23(21)17-31(34)32(35)28-19-30(33-29-14-13-26(36-2)18-27(28)29)22-9-11-25(12-10-22)37-24-7-5-4-6-8-24/h4-14,18-19,21,23,31-32,35H,3,15-17,20H2,1-2H3/t21?,23?,31?,32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes				Bioorg Med Chem Lett 7: 2673-2676 (1997) Article DOI: 10.1016/S0960-894X(97)10046-4 BindingDB Entry DOI: 10.7270/Q22Z15KZ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418181 (CHEMBL1761508) Show SMILES COc1ccncc1-c1cc(C(N)=O)c2[nH]ccc2c1 Show InChI InChI=1S/C15H13N3O2/c1-20-13-3-4-17-8-12(13)10-6-9-2-5-18-14(9)11(7-10)15(16)19/h2-8,18H,1H3,(H2,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418179 (CHEMBL1761506) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(CO)cc1 Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-5-6-18-15(12)14)11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2,(H2,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418180 (CHEMBL1964241) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cncnc1 Show InChI InChI=1S/C13H10N4O/c14-13(18)11-4-9(10-5-15-7-16-6-10)3-8-1-2-17-12(8)11/h1-7,17H,(H2,14,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50418178 (CHEMBL1761505) Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(CO)c1 Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-alpha				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
					More data for this Ligand-Target Pair

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