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16 similar compounds to monomer 50229176

Compile data set for download or QSAR
Wt: 259.6
BDBM50229183
Wt: 304.7
BDBM50229180
Wt: 397.4
BDBM50229184
Wt: 383.4
BDBM50229186
Wt: 255.2
BDBM50229182
Wt: 350.4
BDBM50229179
Wt: 362.5
BDBM50229171
Wt: 320.4
BDBM50229172
Wt: 352.4
BDBM50229175
Wt: 362.5
BDBM50229177
Wt: 418.5
BDBM50229178
Wt: 309.7
BDBM50229181
Wt: 362.5
BDBM50229174
Wt: 364.4
BDBM50229173
Wt: 302.3
BDBM50229188
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50229183,50229180,50229184,50229186,50229182,50229179,50229171,50229172,50229175,50229177,50229178,50229181,50229174,50229173,50229188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229179
PNG
(DELEQUAMINE | Delequamine)
Show SMILES COc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229171
PNG
(CHEMBL411954)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229178
PNG
(CHEMBL161278)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(=O)(=O)c4cccs4)CN3CCc2c1
Show InChI InChI=1S/C21H26N2O3S2/c1-26-17-6-7-18-15(12-17)8-10-22-14-16-4-2-9-23(19(16)13-20(18)22)28(24,25)21-5-3-11-27-21/h3,5-7,11-12,16,19-20H,2,4,8-10,13-14H2,1H3/t16-,19-,20+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50229184
PNG
(CHEMBL2236003)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12
Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,13-14,16-17,20,26-28H,3,5,7-8H2,(H,21,22,24)/t13-,14-,16-,17-,20-/m1/s1
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23n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor


J Med Chem 34: 1043-9 (1991)


Article DOI: 10.1021/jm00107a025
BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229174
PNG
(CHEMBL350863)
Show SMILES CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19-,20-/m0/s1
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38n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50229186
PNG
(CHEMBL2235598)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12
Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12?,13-,15-,16-,19-/m1/s1
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46n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor


J Med Chem 34: 1043-9 (1991)


Article DOI: 10.1021/jm00107a025
BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229172
PNG
(CHEMBL163400)
Show SMILES CS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C17H24N2O2S/c1-22(20,21)19-9-4-6-14-12-18-10-8-13-5-2-3-7-15(13)17(18)11-16(14)19/h2-3,5,7,14,16-17H,4,6,8-12H2,1H3/t14-,16-,17-/m0/s1
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56n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50229184
PNG
(CHEMBL2236003)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12
Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,13-14,16-17,20,26-28H,3,5,7-8H2,(H,21,22,24)/t13-,14-,16-,17-,20-/m1/s1
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163n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2 receptor


J Med Chem 34: 1043-9 (1991)


Article DOI: 10.1021/jm00107a025
BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229173
PNG
(CHEMBL355597)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2[C@@H]1CCN1CCc3cc4OCOc4cc3[C@H]21
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-6-2-3-13-15(20)5-8-19-7-4-12-9-16-17(24-11-23-16)10-14(12)18(13)19/h9-10,13,15,18H,2-8,11H2,1H3/t13-,15+,18+/m1/s1
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398n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229175
PNG
(CHEMBL354248)
Show SMILES CN1C[C@@H]2CCCN([C@@H]2C[C@H]1c1ccc2OCOc2c1)S(C)(=O)=O
Show InChI InChI=1S/C17H24N2O4S/c1-18-10-13-4-3-7-19(24(2,20)21)15(13)9-14(18)12-5-6-16-17(8-12)23-11-22-16/h5-6,8,13-15H,3-4,7,9-11H2,1-2H3/t13-,14-,15+/m0/s1
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741n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50229186
PNG
(CHEMBL2235598)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12
Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12?,13-,15-,16-,19-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2 receptor


J Med Chem 34: 1043-9 (1991)


Article DOI: 10.1021/jm00107a025
BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229177
PNG
(CHEMBL164472)
Show SMILES CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20-/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229177
PNG
(CHEMBL164472)
Show SMILES CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20-/m0/s1
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1.74E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229172
PNG
(CHEMBL163400)
Show SMILES CS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C17H24N2O2S/c1-22(20,21)19-9-4-6-14-12-18-10-8-13-5-2-3-7-15(13)17(18)11-16(14)19/h2-3,5,7,14,16-17H,4,6,8-12H2,1H3/t14-,16-,17-/m0/s1
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2.24E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229171
PNG
(CHEMBL411954)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1
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2.29E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229175
PNG
(CHEMBL354248)
Show SMILES CN1C[C@@H]2CCCN([C@@H]2C[C@H]1c1ccc2OCOc2c1)S(C)(=O)=O
Show InChI InChI=1S/C17H24N2O4S/c1-18-10-13-4-3-7-19(24(2,20)21)15(13)9-14(18)12-5-6-16-17(8-12)23-11-22-16/h5-6,8,13-15H,3-4,7,9-11H2,1-2H3/t13-,14-,15+/m0/s1
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2.82E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229174
PNG
(CHEMBL350863)
Show SMILES CCCCS(=O)(=O)N1CCC[C@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19-,20-/m0/s1
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5.01E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229173
PNG
(CHEMBL355597)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2[C@@H]1CCN1CCc3cc4OCOc4cc3[C@H]21
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-6-2-3-13-15(20)5-8-19-7-4-12-9-16-17(24-11-23-16)10-14(12)18(13)19/h9-10,13,15,18H,2-8,11H2,1H3/t13-,15+,18+/m1/s1
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8.71E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229178
PNG
(CHEMBL161278)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(=O)(=O)c4cccs4)CN3CCc2c1
Show InChI InChI=1S/C21H26N2O3S2/c1-26-17-6-7-18-15(12-17)8-10-22-14-16-4-2-9-23(19(16)13-20(18)22)28(24,25)21-5-3-11-27-21/h3,5-7,11-12,16,19-20H,2,4,8-10,13-14H2,1H3/t16-,19-,20+/m1/s1
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9.77E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50229179
PNG
(DELEQUAMINE | Delequamine)
Show SMILES COc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50229182
PNG
(CHEMBL3144723)
Show SMILES COc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-7-6-10(8-15-13)9-17-14(18)11-4-2-3-5-12(11)16-17/h2-8,16H,9H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 (PG) production in rat blood; 3-30


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50229183
PNG
(CHEMBL3144587)
Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2
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n/an/an/an/a 15n/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
Ex vivo inhibition of LTB4 production was measured in dog blood


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50229182
PNG
(CHEMBL3144723)
Show SMILES COc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-7-6-10(8-15-13)9-17-14(18)11-4-2-3-5-12(11)16-17/h2-8,16H,9H2,1H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 production was measured in rat blood


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50229181
PNG
(ROMAZARIT | Ro-313948000 | Romazarit)
Show SMILES Cc1nc(oc1COC(C)(C)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-9-12(8-20-15(2,3)14(18)19)21-13(17-9)10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin synthetase in rat renal medulla


J Med Chem 34: 772-7 (1991)


Article DOI: 10.1021/jm00106a044
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50229182
PNG
(CHEMBL3144723)
Show SMILES COc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-7-6-10(8-15-13)9-17-14(18)11-4-2-3-5-12(11)16-17/h2-8,16H,9H2,1H3
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n/an/an/an/a 10n/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
Ex vivo inhibition of LTB4 production was measured in dog blood


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50229180
PNG
(CLOBUZARIT | Clobuzarit | ICI-55897)
Show SMILES CC(C)(OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)
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n/an/a 9.50E+5n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin synthetase in sheep seminal vesicle


J Med Chem 34: 772-7 (1991)


Article DOI: 10.1021/jm00106a044
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50229188
PNG
(CHEMBL4096996)
Show SMILES CC(C)N(C(C)C)C(=O)N(C)Cc1cc(F)cc(F)c1F
Show InChI InChI=1S/C15H21F3N2O/c1-9(2)20(10(3)4)15(21)19(5)8-11-6-12(16)7-13(17)14(11)18/h6-7,9-10H,8H2,1-5H3
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n/an/an/an/a>3.00E+3n/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)
BDBM50229183
PNG
(CHEMBL3144587)
Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 (PG) production in rat blood; 3-30


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50229181
PNG
(ROMAZARIT | Ro-313948000 | Romazarit)
Show SMILES Cc1nc(oc1COC(C)(C)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-9-12(8-20-15(2,3)14(18)19)21-13(17-9)10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
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n/an/a 6.50E+6n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibition of prostaglandin synthetase in sheep seminal vesicle


J Med Chem 34: 772-7 (1991)


Article DOI: 10.1021/jm00106a044
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50229183
PNG
(CHEMBL3144587)
Show SMILES Clc1ccc(Cn2[nH]c3ccccc3c2=O)cn1
Show InChI InChI=1S/C13H10ClN3O/c14-12-6-5-9(7-15-12)8-17-13(18)10-3-1-2-4-11(10)16-17/h1-7,16H,8H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



ICI Pharma

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 production was measured in rat blood


J Med Chem 34: 1028-36 (1991)


Article DOI: 10.1021/jm00107a023
BindingDB Entry DOI: 10.7270/Q28G8MXH
More data for this
Ligand-Target Pair