Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'watrous' and Initial = 'j'   

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))	BDBM50137196 (6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine | CHEMBL...) Show SMILES Nc1ncnc2cc(sc12)-c1ccccc1 Show InChI InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)	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	970	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186619 (3-amino-5-phenyl-thiophene-2-carboxylic acid amide...) Show SMILES NC(=O)c1sc(cc1N)-c1ccccc1 Show InChI InChI=1S/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM26098 (3-amino-5-(thiophen-3-yl)thiophene-2-carboxamide |...) Show SMILES NC(=O)c1sc(cc1N)-c1ccsc1 Show InChI InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186653 (CHEMBL207238 | amino-4-(4-carbamoyl-phenoxymethyl)...) Show SMILES Cc1cc(COc2ccc(cc2)C(N)=O)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C17H16N4O3S/c1-8-6-10(7-24-11-4-2-9(3-5-11)15(19)22)12-13(18)14(16(20)23)25-17(12)21-8/h2-6H,7,18H2,1H3,(H2,19,22)(H2,20,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186637 (3-(3-methyl-ureido)-5-phenyl-thiophene-2-carboxyli...) Show SMILES CNC(=O)Nc1cc(sc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C13H13N3O2S/c1-15-13(18)16-9-7-10(19-11(9)12(14)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,17)(H2,15,16,18)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186655 (2-amino-5-phenylthiophene-3-carboxamide | CHEMBL38...) Show SMILES NC(=O)c1cc(sc1N)-c1ccccc1 Show InChI InChI=1S/C11H10N2OS/c12-10(14)8-6-9(15-11(8)13)7-4-2-1-3-5-7/h1-6H,13H2,(H2,12,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186624 (3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbox...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C10H11N3OS/c1-4-3-5(2)13-10-6(4)7(11)8(15-10)9(12)14/h3H,11H2,1-2H3,(H2,12,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186660 (3-amino-6-butyl-4-methyl-thieno[2,3-b]pyridine-2-c...) Show SMILES CCCCc1cc(C)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C13H17N3OS/c1-3-4-5-8-6-7(2)9-10(14)11(12(15)17)18-13(9)16-8/h6H,3-5,14H2,1-2H3,(H2,15,17)	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50186624 (3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbox...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C10H11N3OS/c1-4-3-5(2)13-10-6(4)7(11)8(15-10)9(12)14/h3H,11H2,1-2H3,(H2,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK alpha				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186614 (3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide...) Show SMILES COc1ccc(cc1)-c1cc(N)c(s1)C(N)=O Show InChI InChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15)	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186636 (3-amino-6-tert-butyl-2-carbamoyl-thieno[2,3-b]pyri...) Show SMILES CCOC(=O)c1cc(nc2sc(C(N)=O)c(N)c12)C(C)(C)C Show InChI InChI=1S/C15H19N3O3S/c1-5-21-14(20)7-6-8(15(2,3)4)18-13-9(7)10(16)11(22-13)12(17)19/h6H,5,16H2,1-4H3,(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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50186619 (3-amino-5-phenyl-thiophene-2-carboxylic acid amide...) Show SMILES NC(=O)c1sc(cc1N)-c1ccccc1 Show InChI InChI=1S/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50186624 (3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbox...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C10H11N3OS/c1-4-3-5(2)13-10-6(4)7(11)8(15-10)9(12)14/h3H,11H2,1-2H3,(H2,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BTK				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186652 (3-amino-6-isobutyl-4-methyl-thieno[2,3-b]pyridine-...) Show SMILES CC(C)Cc1cc(C)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C13H17N3OS/c1-6(2)4-8-5-7(3)9-10(14)11(12(15)17)18-13(9)16-8/h5-6H,4,14H2,1-3H3,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186635 (5-amino-2-benzthiophene-2-yl-oxazole-4-carboxylic ...) Show SMILES NC(=O)c1nc(oc1N)-c1cc2ccccc2s1 Show InChI InChI=1S/C12H9N3O2S/c13-10(16)9-11(14)17-12(15-9)8-5-6-3-1-2-4-7(6)18-8/h1-5H,14H2,(H2,13,16)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186645 (5-amino-2-thiophen-3-yl-oxazole-4-carboxylic acid ...) Show SMILES NC(=O)c1nc(oc1N)-c1ccsc1 Show InChI InChI=1S/C8H7N3O2S/c9-6(12)5-7(10)13-8(11-5)4-1-2-14-3-4/h1-3H,10H2,(H2,9,12)	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50186619 (3-amino-5-phenyl-thiophene-2-carboxylic acid amide...) Show SMILES NC(=O)c1sc(cc1N)-c1ccccc1 Show InChI InChI=1S/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186656 (5-(4-fluoro-phenyl)-3-methylamino-thiophene-2-carb...) Show SMILES CNc1cc(sc1C(N)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C12H11FN2OS/c1-15-9-6-10(17-11(9)12(14)16)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H2,14,16)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186639 (4-(4-cyano-phenoxymethyl)-6-methyl-thieno[2,3-b]py...) Show SMILES Cc1cc(COc2ccc(cc2)C#N)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C17H14N4O2S/c1-9-6-11(8-23-12-4-2-10(7-18)3-5-12)13-14(19)15(16(20)22)24-17(13)21-9/h2-6H,8,19H2,1H3,(H2,20,22)	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186631 (5-amino-2-(4-tert-butyl-phenyl)-oxazole-4-carboxyl...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(C(N)=O)c(N)o1 Show InChI InChI=1S/C14H17N3O2/c1-14(2,3)9-6-4-8(5-7-9)13-17-10(11(15)18)12(16)19-13/h4-7H,16H2,1-3H3,(H2,15,18)	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186651 (5-amino-2-(2-methyl-phenyl)-oxazole-4-carboxylic a...) Show SMILES Cc1ccccc1-c1nc(C(N)=O)c(N)o1 Show InChI InChI=1S/C11H11N3O2/c1-6-4-2-3-5-7(6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186644 (5-amino-2-(2-chloro-phenyl)-oxazole-4-carboxylic a...) Show SMILES NC(=O)c1nc(oc1N)-c1ccccc1Cl Show InChI InChI=1S/C10H8ClN3O2/c11-6-4-2-1-3-5(6)10-14-7(8(12)15)9(13)16-10/h1-4H,13H2,(H2,12,15)	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186632 (3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide ...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186625 (3-amino-thieno[2,3-b]pyridine-2-carboxylic acid am...) Show SMILES NC(=O)c1sc2ncccc2c1N Show InChI InChI=1S/C8H7N3OS/c9-5-4-2-1-3-11-8(4)13-6(5)7(10)12/h1-3H,9H2,(H2,10,12)	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	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186633 (5-amino-2-(4-trifluoromethyl-phenyl)-oxazole-4-car...) Show SMILES NC(=O)c1nc(oc1N)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H8F3N3O2/c12-11(13,14)6-3-1-5(2-4-6)10-17-7(8(15)18)9(16)19-10/h1-4H,16H2,(H2,15,18)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186647 (3-amino-6-methyl-4-phenoxymethyl-thieno[2,3-b]pyri...) Show SMILES Cc1cc(COc2ccccc2)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C16H15N3O2S/c1-9-7-10(8-21-11-5-3-2-4-6-11)12-13(17)14(15(18)20)22-16(12)19-9/h2-7H,8,17H2,1H3,(H2,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186621 (2-amino-quinoline-3-carboxylic acid amide | CHEMBL...) Show SMILES NC(=O)c1cc2ccccc2nc1N Show InChI InChI=1S/C10H9N3O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186617 (5-phenyl-3-propionylamino-thiophene-2-carboxylic a...) Show SMILES CCC(=O)Nc1cc(sc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C14H14N2O2S/c1-2-12(17)16-10-8-11(19-13(10)14(15)18)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)	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	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186622 (5-amino-2-(3-chloro-phenyl)-oxazole-4-carboxylic a...) Show SMILES NC(=O)c1nc(oc1N)-c1cccc(Cl)c1 Show InChI InChI=1S/C10H8ClN3O2/c11-6-3-1-2-5(4-6)10-14-7(8(12)15)9(13)16-10/h1-4H,13H2,(H2,12,15)	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	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186616 (5-amino-2-phenyl-oxazole-4-carboxylic acid amide |...) Show SMILES NC(=O)c1nc(oc1N)-c1ccccc1 Show InChI InChI=1S/C10H9N3O2/c11-8(14)7-9(12)15-10(13-7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186634 (3-amino-benzo[b]thiophene-2-carboxylic acid amide ...) Show SMILES NC(=O)c1sc2ccccc2c1N Show InChI InChI=1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186628 (5-amino-2-p-tolyl-oxazole-4-carboxylic acid amide ...) Show SMILES Cc1ccc(cc1)-c1nc(C(N)=O)c(N)o1 Show InChI InChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15)	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	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186650 (3-amino-4-(hydroxymethyl)-6-methylthieno[2,3-b]pyr...) Show SMILES Cc1cc(CO)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C10H11N3O2S/c1-4-2-5(3-14)6-7(11)8(9(12)15)16-10(6)13-4/h2,14H,3,11H2,1H3,(H2,12,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186654 (4-(4-methoxy-phenoxymethyl)-6-methyl-thieno[2,3-b]...) Show SMILES COc1ccc(OCc2cc(C)nc3sc(C(N)=O)c(N)c23)cc1 Show InChI InChI=1S/C17H17N3O3S/c1-9-7-10(8-23-12-5-3-11(22-2)4-6-12)13-14(18)15(16(19)21)24-17(13)20-9/h3-7H,8,18H2,1-2H3,(H2,19,21)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186657 (5-amino-2-(4-chloro-phenyl)-oxazole-4-carboxylic a...) Show SMILES NC(=O)c1nc(oc1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H8ClN3O2/c11-6-3-1-5(2-4-6)10-14-7(8(12)15)9(13)16-10/h1-4H,13H2,(H2,12,15)	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	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186638 (5-amino-2-(3-methoxy-phenyl)-oxazole-4-carboxylic ...) Show SMILES COc1cccc(c1)-c1nc(C(N)=O)c(N)o1 Show InChI InChI=1S/C11H11N3O3/c1-16-7-4-2-3-6(5-7)11-14-8(9(12)15)10(13)17-11/h2-5H,13H2,1H3,(H2,12,15)	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	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM27462 (2-amino-5-phenylbenzamide | Amino-substituted benz...) Show SMILES NC(=O)c1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C13H12N2O/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,14H2,(H2,15,16)	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	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186626 (3-amino-2-carbamoyl-6-methyl-thieno[2,3-b]pyridine...) Show SMILES CCOC(=O)c1cc(C)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C12H13N3O3S/c1-3-18-12(17)6-4-5(2)15-11-7(6)8(13)9(19-11)10(14)16/h4H,3,13H2,1-2H3,(H2,14,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50186619 (3-amino-5-phenyl-thiophene-2-carboxylic acid amide...) Show SMILES NC(=O)c1sc(cc1N)-c1ccccc1 Show InChI InChI=1S/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BTK				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM114965 (6-phenyl-1H-thieno[3,2-d]pyrimidin-4-one | CHEMBL3...) Show SMILES O=c1[nH]cnc2cc(sc12)-c1ccccc1 Show InChI InChI=1S/C12H8N2OS/c15-12-11-9(13-7-14-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186623 (5-amino-2-(4-methoxy-phenyl)-oxazole-4-carboxylic ...) Show SMILES COc1ccc(cc1)-c1nc(C(N)=O)c(N)o1 Show InChI InChI=1S/C11H11N3O3/c1-16-7-4-2-6(3-5-7)11-14-8(9(12)15)10(13)17-11/h2-5H,13H2,1H3,(H2,12,15)	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	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186640 (3-amino-5-methyl-thieno[2,3-b]pyridine-2-carboxyli...) Show SMILES Cc1cnc2sc(C(N)=O)c(N)c2c1 Show InChI InChI=1S/C9H9N3OS/c1-4-2-5-6(10)7(8(11)13)14-9(5)12-3-4/h2-3H,10H2,1H3,(H2,11,13)	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	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50186625 (3-amino-thieno[2,3-b]pyridine-2-carboxylic acid am...) Show SMILES NC(=O)c1sc2ncccc2c1N Show InChI InChI=1S/C8H7N3OS/c9-5-4-2-1-3-11-8(4)13-6(5)7(10)12/h1-3H,9H2,(H2,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK alpha				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50186659 (3-dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-ca...) Show SMILES CN(C)c1cc(sc1C(N)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H13FN2OS/c1-16(2)10-7-11(18-12(10)13(15)17)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,17)	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	>2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50186618 (3-amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic...) Show SMILES NC(=O)c1sc(cc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK alpha				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair

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