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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'carlson' and Initial = 'rp'   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50068561
PNG
((16E,24E,26E,28E)-1,18-Dihydroxy-12-[2-(4-hydroxy-...)
Show SMILES CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3O[C@](O)([C@H](C)C[C@@H]3OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C52H81NO14/c1-30-17-13-12-14-18-31(2)41(62-8)29-45-44(64-10)26-36(7)52(61,67-45)49(58)50(59)53-22-16-15-19-38(53)51(60)66-42(33(4)25-37-20-21-39(54)43(27-37)63-9)28-40(55)32(3)24-35(6)47(57)48(65-11)46(56)34(5)23-30/h12-14,17-18,24,30,32-34,36-39,41-45,47-48,54,57,61H,15-16,19-23,25-29H2,1-11H3/b14-12+,17-13+,31-18+,35-24+/t30-,32-,33?,34-,36-,37+,38+,39-,41+,42+,43-,44+,45-,47+,48+,52-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against FKBP12


Bioorg Med Chem Lett 15: 5340-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.106
BindingDB Entry DOI: 10.7270/Q2V40TRJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50174276
PNG
((1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1cnnn1 |c:14,33,t:29,31|
Show InChI InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against FKBP12


Bioorg Med Chem Lett 15: 5340-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.106
BindingDB Entry DOI: 10.7270/Q2V40TRJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50174275
PNG
((1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1n1ncnn1 |c:14,33,t:29,31|
Show InChI InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-54-30-53-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against FKBP12


Bioorg Med Chem Lett 15: 5340-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.106
BindingDB Entry DOI: 10.7270/Q2V40TRJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50174277
PNG
((1R,2R,4S)-4-[(2R)-2-[(1R,9S,15R,16E,18R,19R,21R,2...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)N(C)OC |c:14,33,t:29,31|
Show InChI InChI=1S/C54H84N2O15/c1-32-18-14-13-15-19-33(2)44(65-9)30-40-23-21-38(7)54(64,71-40)50(60)51(61)56-25-17-16-20-41(56)52(62)69-45(31-42(57)34(3)27-37(6)48(59)49(67-11)47(58)36(5)26-32)35(4)28-39-22-24-43(46(29-39)66-10)70-53(63)55(8)68-12/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,59,64H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45?,46-,48-,49+,54-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against FKBP12


Bioorg Med Chem Lett 15: 5340-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.106
BindingDB Entry DOI: 10.7270/Q2V40TRJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006820
PNG
(2-[3-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quino...)
Show SMILES C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50034545
PNG
((3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrid...)
Show SMILES Cc1ccc(cc1)C(O)c1nc2CCCCCc2cc1C
Show InChI InChI=1S/C19H23NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12,19,21H,3-7H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Wyeth Research (U.K.) Ltd.

Curated by ChEMBL


Assay Description
5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using LTB4 .


J Med Chem 38: 1473-81 (1995)


BindingDB Entry DOI: 10.7270/Q2VH5MV3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006813
PNG
(CHEMBL79453 | N-Methoxy-2-[3-(quinolin-2-ylmethoxy...)
Show SMILES CONC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H18N2O3/c1-23-21-19(22)12-14-5-4-7-17(11-14)24-13-16-10-9-15-6-2-3-8-18(15)20-16/h2-11H,12-13H2,1H3,(H,21,22)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50034545
PNG
((3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrid...)
Show SMILES Cc1ccc(cc1)C(O)c1nc2CCCCCc2cc1C
Show InChI InChI=1S/C19H23NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12,19,21H,3-7H2,1-2H3
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KEGG

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PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth Research (U.K.) Ltd.

Curated by ChEMBL


Assay Description
5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using 5-HETE.


J Med Chem 38: 1473-81 (1995)


BindingDB Entry DOI: 10.7270/Q2VH5MV3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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PubMed
n/an/a 4.04E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN (Prostaglandin G/H synthase).


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair