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Compile Data Set for Download or QSAR

Found 345 hits with Last Name = 'boehm' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
LTB4R


(Homo sapiens (Human))
BDBM50042149
PNG
(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+
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1n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042153
PNG
(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+
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3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042150
PNG
(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
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10n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50368705
PNG
(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
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50n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042148
PNG
(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
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60n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042142
PNG
((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
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100n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042143
PNG
(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)
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140n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50001610
PNG
(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)
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220n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50001611
PNG
((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+
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360n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042151
PNG
(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
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500n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042146
PNG
(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)
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600n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM79408
PNG
((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
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700n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042145
PNG
(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)
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900n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042152
PNG
(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
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1.00E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042141
PNG
(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+
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1.40E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042187
PNG
(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)
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2.40E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042154
PNG
(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)
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2.80E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042185
PNG
(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)
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3.50E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042147
PNG
(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
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9.00E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042188
PNG
(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)
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9.00E+3n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042190
PNG
(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)
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1.90E+4n/an/an/an/an/an/an/an/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
LTB4R


(Homo sapiens (Human))
BDBM50042186
PNG
(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)
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2.70E+4n/an/an/an/an/an/an/an/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
thyroid beta


(RAT)
BDBM50036427
PNG
(CHEMBL350265 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036401
PNG
(CHEMBL163221 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NC(=O)C(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H15I2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036399
PNG
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036418
PNG
(CHEMBL350049 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C21H25NO5/c1-6-26-21(25)20(24)22-15-9-13(4)19(14(5)10-15)27-16-7-8-18(23)17(11-16)12(2)3/h7-12,23H,6H2,1-5H3,(H,22,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036423
PNG
(CHEMBL164421 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(=O)OCc3ccccc3)cc2C)ccc1O
Show InChI InChI=1S/C26H27NO5/c1-16(2)22-14-21(10-11-23(22)28)32-24-17(3)12-20(13-18(24)4)27-25(29)26(30)31-15-19-8-6-5-7-9-19/h5-14,16,28H,15H2,1-4H3,(H,27,29)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036411
PNG
(CHEMBL163324 | N-{3,5-Dichloro-4-[3-(4-chloro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl3NO5/c22-13-3-1-11(2-4-13)7-12-8-15(5-6-18(12)26)30-19-16(23)9-14(10-17(19)24)25-20(27)21(28)29/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036410
PNG
(CHEMBL159976 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NCC(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H17I2NO4/c1-9(2)12-7-11(3-4-15(12)21)24-17-13(18)5-10(6-14(17)19)20-8-16(22)23/h3-7,9,20-21H,8H2,1-2H3,(H,22,23)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036424
PNG
(CHEMBL159334 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2FNO6/c22-15-7-12(25-20(28)21(29)30)8-16(23)19(15)31-13-5-6-17(26)14(9-13)18(27)10-1-3-11(24)4-2-10/h1-9,26H,(H,25,28)(H,29,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036408
PNG
(CHEMBL161828 | N-{4-[3-(4-Chloro-benzyl)-4-hydroxy...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H20ClNO5/c1-13-9-18(25-22(27)23(28)29)10-14(2)21(13)30-19-7-8-20(26)16(12-19)11-15-3-5-17(24)6-4-15/h3-10,12,26H,11H2,1-2H3,(H,25,27)(H,28,29)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036417
PNG
(CHEMBL423977 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2FNO5/c22-16-9-14(25-20(27)21(28)29)10-17(23)19(16)30-15-5-6-18(26)12(8-15)7-11-1-3-13(24)4-2-11/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036417
PNG
(CHEMBL423977 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2FNO5/c22-16-9-14(25-20(27)21(28)29)10-17(23)19(16)30-15-5-6-18(26)12(8-15)7-11-1-3-13(24)4-2-11/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036404
PNG
(CHEMBL159595 | N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(O)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,20,26-27H,1-2H3,(H,25,28)(H,29,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036395
PNG
(CHEMBL350199 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(N)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22N2O4/c1-10(2)15-9-14(5-6-16(15)22)25-17-11(3)7-13(8-12(17)4)21-19(24)18(20)23/h5-10,22H,1-4H3,(H2,20,23)(H,21,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036420
PNG
(CHEMBL161535 | N-[4-(3-Isopropyl-4-methoxy-phenoxy...)
Show SMILES COC(=O)C(=O)Nc1cc(C)c(Oc2ccc(OC)c(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C21H25NO5/c1-12(2)17-11-16(7-8-18(17)25-5)27-19-13(3)9-15(10-14(19)4)22-20(23)21(24)26-6/h7-12H,1-6H3,(H,22,23)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036397
PNG
(CHEMBL348983 | N-[3,5-Dichloro-4-(4-hydroxy-3-isop...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H15Cl2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036406
PNG
(CHEMBL163380 | [3,5-Dichloro-4-(4-hydroxy-3-isopro...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H17Cl2NO4/c1-9(2)12-7-11(3-4-15(12)21)24-17-13(18)5-10(6-14(17)19)20-8-16(22)23/h3-7,9,20-21H,8H2,1-2H3,(H,22,23)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50105748
PNG
(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)
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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
thyroid beta


(RAT)
BDBM50036405
PNG
(CHEMBL434476 | N-(3,5-Dichloro-4-{3-[(4-chloro-phe...)
Show SMILES OC(c1ccc(Cl)cc1)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C21H14Cl3NO6/c22-11-3-1-10(2-4-11)18(27)14-9-13(5-6-17(14)26)31-19-15(23)7-12(8-16(19)24)25-20(28)21(29)30/h1-9,18,26-27H,(H,25,28)(H,29,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50105762
PNG
(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-
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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
thyroid beta


(RAT)
BDBM50036398
PNG
(CHEMBL162692 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(SCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4S/c1-9(2)12-5-10(3-4-15(12)20)23-17-13(18)6-11(7-14(17)19)24-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
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n/an/a 1.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM50036426
PNG
(CHEMBL159610 | N-{4-[3-(4-Fluoro-benzoyl)-4-hydrox...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H18FNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H,25,28)(H,29,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50105746
PNG
(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)
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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
thyroid beta


(RAT)
BDBM50036415
PNG
(CHEMBL163268 | N-[3,5-Dibromo-4-(4-hydroxy-3-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)C(N)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2N2O4/c1-8(2)11-7-10(3-4-14(11)22)25-15-12(18)5-9(6-13(15)19)21-17(24)16(20)23/h3-8,22H,1-2H3,(H2,20,23)(H,21,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036414
PNG
(CHEMBL346112 | N-{4-[3-(4-Chloro-benzoyl)-4-hydrox...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H,25,28)(H,29,30)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
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