Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'ksiazek' 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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050527 (Boronic acid derivative | CHEMBL66032 | US11096924...) Show SMILES CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C8H17BN2O3/c1-2-6(10)8(12)11-5-3-4-7(11)9(13)14/h6-7,13-14H,2-5,10H2,1H3/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB 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	15	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50050517 (Boronic acid derivative | CHEMBL305170 | N-alkyl G...) Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50369128 (CHEMBL1790483 | US11096924, DASH-inhibitors 4316 |...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C10H21BN2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9,15-16H,3-6,12H2,1-2H3/t7-,8-,9-/m0/s1	PDB MMDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050514 (Boronic acid derivative | CHEMBL304007) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C13H19BN2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17,19-20H,1-2,7-8,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050528 (Boronic acid derivative | CHEMBL63698 | US11096924...) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C10H21BN2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9,15-16H,3-6,12H2,1-2H3/t8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050520 (Boronic acid derivative | CHEMBL63406 | US11096924...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C10H21BN2O3/c1-10(2,3)8(12)9(14)13-6-4-5-7(13)11(15)16/h7-8,15-16H,4-6,12H2,1-3H3/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050524 (Boronic acid derivative | CHEMBL291428) Show SMILES N[C@H](C(=O)N1CCC[C@H]1B(O)O)c1ccccc1 Show InChI InChI=1S/C12H17BN2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h1-3,5-6,10-11,17-18H,4,7-8,14H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050515 (Boronic acid derivative | CHEMBL63652 | US11096924...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C13H19BN2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12,18-19H,4,7-9,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050516 (Boronic acid derivative | CHEMBL63726 | US11096924...) Show SMILES NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C10H22BN3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9,16-17H,1-7,12-13H2/t8-,9-/m0/s1	PDB MMDB 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	95	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50369129 (CHEMBL1790478) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050526 (Boronic acid derivative | CHEMBL292342) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCN1 Show InChI InChI=1S/C8H15BN2O3/c12-8(6-3-4-10-6)11-5-1-2-7(11)9(13)14/h6-7,10,13-14H,1-5H2/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50369129 (CHEMBL1790478) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair
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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Prolyl endopeptidase				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050512 (Boronic acid derivative | CHEMBL65406) Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1B(O)O Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m1/s1	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 Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					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
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))	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
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
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))	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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50369129 (CHEMBL1790478) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O Show InChI InChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Prolyl endopeptidase				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					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

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