Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'boehm' and Initial = 'jc'   

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
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042149 (CHEMBL112520 | Lithium; 3-{1-hydroxy-2-[6-(3-hydro...) Show SMILES CCCCCCCCC(O)\C=C\c1cccc(CC(O)c2cccc(c2)C([O-])=O)n1 Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-14-23(27)16-15-21-12-9-13-22(26-21)18-24(28)19-10-8-11-20(17-19)25(29)30/h8-13,15-17,23-24,27-28H,2-7,14,18H2,1H3,(H,29,30)/p-1/b16-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042153 (CHEMBL113288 | Lithium; 3-(2-{7-[3-(3-butoxy-pheny...) Show SMILES CCCCOc1cccc(c1)C(O)\C=C\c1cccc(CC(O)c2cccc(c2)C([O-])=O)n1 Show InChI InChI=1S/C27H29NO5/c1-2-3-15-33-24-12-5-8-20(17-24)25(29)14-13-22-10-6-11-23(28-22)18-26(30)19-7-4-9-21(16-19)27(31)32/h4-14,16-17,25-26,29-30H,2-3,15,18H2,1H3,(H,31,32)/p-1/b14-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042150 (CHEMBL326397 | Lithium; 3-{1-hydroxy-2-[7-(1-hydro...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(c3)C([O-])=O)nc2c1 Show InChI InChI=1S/C27H33NO4/c1-2-3-4-5-6-7-11-25(29)21-13-12-19-14-15-23(28-24(19)17-21)18-26(30)20-9-8-10-22(16-20)27(31)32/h8-10,12-17,25-26,29-30H,2-7,11,18H2,1H3,(H,31,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50368705 (CHEMBL1788228) Show SMILES CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(c3)C([O-])=O)nc2c1 |r| Show InChI InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-11-26(29)22-14-13-21-15-17-24(28-25(21)19-22)16-12-20-9-8-10-23(18-20)27(30)31/h8-10,13-15,17-19,26,29H,2-7,11-12,16H2,1H3,(H,30,31)/p-1/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042148 (CHEMBL111811 | Lithium; 3-{1-hydroxy-2-[6-(3-hydro...) Show SMILES CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(c2)C([O-])=O)n1 Show InChI InChI=1S/C25H35NO4/c1-2-3-4-5-6-7-14-23(27)16-15-21-12-9-13-22(26-21)18-24(28)19-10-8-11-20(17-19)25(29)30/h8-13,17,23-24,27-28H,2-7,14-16,18H2,1H3,(H,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042142 ((R)-Lithium; 3-{2-[7-(1-hydroxy-nonyl)-quinolin-2-...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(c3)C([O-])=O)nc2c1 Show InChI InChI=1S/C27H33NO3/c1-2-3-4-5-6-7-11-26(29)22-14-13-21-15-17-24(28-25(21)19-22)16-12-20-9-8-10-23(18-20)27(30)31/h8-10,13-15,17-19,26,29H,2-7,11-12,16H2,1H3,(H,30,31)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042143 (3-[7-(1-Hydroxy-nonyl)-quinolin-2-ylmethanesulfiny...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CS(=O)c3cccc(c3)C(O)=O)nc2c1 Show InChI InChI=1S/C26H31NO4S/c1-2-3-4-5-6-7-11-25(28)20-13-12-19-14-15-22(27-24(19)17-20)18-32(31)23-10-8-9-21(16-23)26(29)30/h8-10,12-17,25,28H,2-7,11,18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50001610 (7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...) Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50001611 ((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042151 (CHEMBL115826 | Lithium; 3-[7-(1-hydroxy-nonyl)-nap...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CS(=O)c3cccc(c3)C([O-])=O)cc2c1 Show InChI InChI=1S/C27H32O4S/c1-2-3-4-5-6-7-11-26(28)22-15-14-21-13-12-20(16-24(21)17-22)19-32(31)25-10-8-9-23(18-25)27(29)30/h8-10,12-18,26,28H,2-7,11,19H2,1H3,(H,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042146 (3-[7-(1-Hydroxy-nonyl)-quinolin-2-ylmethylsulfanyl...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(c3)C(O)=O)nc2c1 Show InChI InChI=1S/C26H31NO3S/c1-2-3-4-5-6-7-11-25(28)20-13-12-19-14-15-22(27-24(19)17-20)18-31-23-10-8-9-21(16-23)26(29)30/h8-10,12-17,25,28H,2-7,11,18H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM79408 ((5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-...) Show SMILES CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1 Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042145 (5-Hydroxy-6-[7-(1-hydroxy-nonyl)-quinolin-2-yl]-he...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CC(O)CCCC(O)=O)nc2c1 Show InChI InChI=1S/C24H35NO4/c1-2-3-4-5-6-7-10-23(27)19-13-12-18-14-15-20(25-22(18)16-19)17-21(26)9-8-11-24(28)29/h12-16,21,23,26-27H,2-11,17H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042152 (CHEMBL114454 | Lithium; 3-(2-{6-[3-(3-butoxy-pheny...) Show SMILES CCCCOc1cccc(c1)C(O)CCc1cccc(CC(O)c2cccc(c2)C([O-])=O)n1 Show InChI InChI=1S/C27H31NO5/c1-2-3-15-33-24-12-5-8-20(17-24)25(29)14-13-22-10-6-11-23(28-22)18-26(30)19-7-4-9-21(16-19)27(31)32/h4-12,16-17,25-26,29-30H,2-3,13-15,18H2,1H3,(H,31,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042141 (6-[7-(1-Hydroxy-nonyl)-quinolin-2-yl]-hex-5-enoic ...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(\C=C\CCCC(O)=O)nc2c1 Show InChI InChI=1S/C24H33NO3/c1-2-3-4-5-6-9-12-23(26)20-15-14-19-16-17-21(25-22(19)18-20)11-8-7-10-13-24(27)28/h8,11,14-18,23,26H,2-7,9-10,12-13H2,1H3,(H,27,28)/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042187 (4-[4-(2-Amino-5-benzyl-1-methyl-1H-imidazol-4-ylme...) Show SMILES Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 Show InChI InChI=1S/C22H27N3O/c1-25-21(16-18-8-3-2-4-9-18)20(24-22(25)23)15-19-12-10-17(11-13-19)7-5-6-14-26/h2-4,8-13,26H,5-7,14-16H2,1H3,(H2,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042154 (6-[7-(1-Hydroxy-nonyl)-quinolin-2-yl]-hexanoic aci...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CCCCCC(O)=O)nc2c1 Show InChI InChI=1S/C24H35NO3/c1-2-3-4-5-6-9-12-23(26)20-15-14-19-16-17-21(25-22(19)18-20)11-8-7-10-13-24(27)28/h14-18,23,26H,2-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042147 (CHEMBL113401 | Lithium; 3-[7-(1-hydroxy-nonyl)-nap...) Show SMILES CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(c3)C([O-])=O)cc2c1 Show InChI InChI=1S/C27H32O3S/c1-2-3-4-5-6-7-11-26(28)22-15-14-21-13-12-20(16-24(21)17-22)19-31-25-10-8-9-23(18-25)27(29)30/h8-10,12-18,26,28H,2-7,11,19H2,1H3,(H,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]- LTB4 binding on human whole cells				J Med Chem 36: 3308-20 (1993) BindingDB Entry DOI: 10.7270/Q21R6R4P
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042188 (4,5-Dibenzyl-1H-imidazol-2-ylamine | CHEMBL116278) Show SMILES Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1 Show InChI InChI=1S/C17H17N3/c18-17-19-15(11-13-7-3-1-4-8-13)16(20-17)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042190 (4,5-Dibenzyl-1-methyl-1H-imidazol-2-ylamine | CHEM...) Show SMILES Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C18H19N3/c1-21-17(13-15-10-6-3-7-11-15)16(20-18(21)19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042186 (5-Benzyl-4-(3-methoxy-benzyl)-1-methyl-1H-imidazol...) Show SMILES COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1 Show InChI InChI=1S/C19H21N3O/c1-22-18(13-14-7-4-3-5-8-14)17(21-19(22)20)12-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105748 (4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105762 (4-[4-(4-Fluoro-phenyl)-5-(2-phenylamino-pyrimidin-...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(10.94,3.96,;10.65,2.44,;11.82,1.44,;11.53,-.05,;10.06,-.57,;8.9,.42,;9.19,1.94,;9.76,-2.08,;10.81,-3.2,;10.09,-4.56,;8.59,-4.27,;8.39,-2.74,;7.06,-1.94,;7.08,-.4,;5.75,.4,;4.42,-.33,;4.39,-1.89,;3.04,-2.64,;1.73,-1.85,;.38,-2.6,;-.93,-1.82,;-.91,-.26,;.43,.48,;1.76,-.31,;5.7,-2.68,;7.51,-5.38,;6.02,-5,;4.95,-6.1,;5.38,-7.57,;4.32,-8.69,;6.86,-7.94,;7.94,-6.86,)| Show InChI InChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105746 (CHEMBL318892 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...) Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50105742 (4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...) Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)| Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-	PDB MMDB 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	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK2beta2 kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099348 (2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c(C)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)15-17)33-26-29-14-11-22(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507365 (CHEMBL4522601) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCCN1CCCCCC1)-c1ccccc1 Show InChI InChI=1S/C29H38N4O3S/c30-29(34)26-20-24(22-9-4-3-5-10-22)19-25-27(21-31-28(25)26)23-11-16-33(17-12-23)37(35,36)18-8-15-32-13-6-1-2-7-14-32/h3-5,9-10,19-21,23,31H,1-2,6-8,11-18H2,(H2,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099358 (2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099373 (2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...) Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507355 (CHEMBL4565091) Show SMILES CC1(C)C[C@@H](CCS1(=O)=O)c1c[nH]c2c(cc(cc12)-c1ccc(F)cc1)C(N)=O |r| Show InChI InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507362 (CHEMBL4473469) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCN1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C26H32N4O4S/c27-26(31)23-17-21(19-4-2-1-3-5-19)16-22-24(18-28-25(22)23)20-6-8-30(9-7-20)35(32,33)15-12-29-10-13-34-14-11-29/h1-5,16-18,20,28H,6-15H2,(H2,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507354 (CHEMBL4577079) Show SMILES CC1(C)CC(CCS1(=O)=O)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H24N2O3S/c1-22(2)12-15(8-9-28(22,26)27)19-13-24-20-17(19)10-16(11-18(20)21(23)25)14-6-4-3-5-7-14/h3-7,10-11,13,15,24H,8-9,12H2,1-2H3,(H2,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507345 (CHEMBL4457925) Show SMILES NCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C22H26N4O3S/c23-8-11-30(28,29)26-9-6-16(7-10-26)20-14-25-21-18(20)12-17(13-19(21)22(24)27)15-4-2-1-3-5-15/h1-5,12-14,16,25H,6-11,23H2,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507357 (CHEMBL4462412) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCCN1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C28H36N4O3S/c29-28(33)25-19-23(21-8-3-1-4-9-21)18-24-26(20-30-27(24)25)22-10-15-32(16-11-22)36(34,35)17-7-14-31-12-5-2-6-13-31/h1,3-4,8-9,18-20,22,30H,2,5-7,10-17H2,(H2,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105743 (4-[3-(1-Benzyl-piperidin-4-yl)-5-(4-fluoro-phenyl)...) Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105763 (CHEMBL420081 | D3RKN_10 | Ethyl-{4-[5-(4-fluoro-ph...) Show SMILES CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507356 (CHEMBL4436805) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCCN1CCCC1)-c1ccccc1 Show InChI InChI=1S/C27H34N4O3S/c28-27(32)24-18-22(20-7-2-1-3-8-20)17-23-25(19-29-26(23)24)21-9-14-31(15-10-21)35(33,34)16-6-13-30-11-4-5-12-30/h1-3,7-8,17-19,21,29H,4-6,9-16H2,(H2,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507364 (CHEMBL4590548) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCS(=O)(=O)CC1)-c1ccccc1 Show InChI InChI=1S/C20H20N2O3S/c21-20(23)17-11-15(13-4-2-1-3-5-13)10-16-18(12-22-19(16)17)14-6-8-26(24,25)9-7-14/h1-5,10-12,14,22H,6-9H2,(H2,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507359 (CHEMBL4529539) Show SMILES CN(C)CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C24H30N4O3S/c1-27(2)12-13-32(30,31)28-10-8-18(9-11-28)22-16-26-23-20(22)14-19(15-21(23)24(25)29)17-6-4-3-5-7-17/h3-7,14-16,18,26H,8-13H2,1-2H3,(H2,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of EGFR kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p56 Lck kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099345 (2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105751 (4-[4-(4-Fluoro-phenyl)-5-(2-phenoxy-pyrimidin-4-yl...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Oc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(11.06,4.43,;10.77,2.91,;11.93,1.91,;11.64,.4,;10.17,-.1,;9.02,.89,;9.31,2.4,;9.88,-1.62,;10.93,-2.74,;10.21,-4.09,;8.7,-3.8,;8.5,-2.27,;7.17,-1.48,;7.2,.06,;5.87,.86,;4.53,.13,;4.5,-1.42,;3.16,-2.18,;1.83,-1.38,;.5,-2.15,;-.82,-1.36,;-.81,.18,;.54,.93,;1.87,.16,;5.82,-2.22,;7.63,-4.91,;6.14,-4.53,;5.06,-5.63,;5.49,-7.1,;4.43,-8.22,;6.98,-7.48,;8.06,-6.39,)| Show InChI InChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50507353 (CHEMBL4564744) Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN2O3S/c21-15-3-1-12(2-4-15)14-9-16-18(13-5-7-27(25,26)8-6-13)11-23-19(16)17(10-14)20(22)24/h1-4,9-11,13,23H,5-8H2,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha subst...				ACS Med Chem Lett 9: 1164-1169 (2018) Article DOI: 10.1021/acsmedchemlett.8b00291 BindingDB Entry DOI: 10.7270/Q24F1V1H
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099343 (2-(2-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2F)n1 Show InChI InChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099367 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099342 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099349 (2-(2,3-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50125604 (1-[9-Benzyl-2-(2-fluoro-phenyl)-9H-purin-6-yl]-1-(...) Show SMILES NC(=O)N(c1nc(nc2n(Cc3ccccc3)cnc12)-c1ccccc1F)c1c(F)cccc1F Show InChI InChI=1S/C25H17F3N6O/c26-17-10-5-4-9-16(17)22-31-23-20(30-14-33(23)13-15-7-2-1-3-8-15)24(32-22)34(25(29)35)21-18(27)11-6-12-19(21)28/h1-12,14H,13H2,(H2,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human MAP p38-alpha kinase in vitro.				Bioorg Med Chem Lett 13: 1191-4 (2003) BindingDB Entry DOI: 10.7270/Q2MG7NW6
					More data for this Ligand-Target Pair

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