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PubMed code 3033245

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226788
PNG
(CHEMBL170413)
Show SMILES CCCc1c(COc2ccc(CCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O3/c1-3-4-19-16(8-11-18(14(2)26)21(19)27)13-28-17-9-5-15(6-10-17)7-12-20-22-24-25-23-20/h5-6,8-11,27H,3-4,7,12-13H2,1-2H3,(H,22,23,24,25)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226779
PNG
(CHEMBL172086)
Show SMILES CCCc1c(COc2cccc(OCc3nn[nH]n3)c2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O4/c1-3-5-18-14(8-9-17(13(2)25)20(18)26)11-27-15-6-4-7-16(10-15)28-12-19-21-23-24-22-19/h4,6-10,26H,3,5,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226795
PNG
(LY-163443)
Show SMILES CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O3/c1-3-4-18-15(7-10-17(13(2)25)20(18)26)12-27-16-8-5-14(6-9-16)11-19-21-23-24-22-19/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226781
PNG
(CHEMBL171093)
Show SMILES CCCc1c(COc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C19H20N4O3/c1-3-4-17-14(7-10-16(12(2)24)18(17)25)11-26-15-8-5-13(6-9-15)19-20-22-23-21-19/h5-10,25H,3-4,11H2,1-2H3,(H,20,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226790
PNG
(CHEMBL353279)
Show SMILES CCCc1c(COc2ccc(cc2)C(C)c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O3/c1-4-5-19-16(8-11-18(14(3)26)20(19)27)12-28-17-9-6-15(7-10-17)13(2)21-22-24-25-23-21/h6-11,13,27H,4-5,12H2,1-3H3,(H,22,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226784
PNG
(CHEMBL353667)
Show SMILES CCc1c(COc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C18H18N4O3/c1-3-15-13(6-9-16(11(2)23)17(15)24)10-25-14-7-4-12(5-8-14)18-19-21-22-20-18/h4-9,24H,3,10H2,1-2H3,(H,19,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226772
PNG
(CHEMBL170213)
Show SMILES CCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C19H20N4O3/c1-3-16-14(6-9-17(12(2)24)19(16)25)11-26-15-7-4-13(5-8-15)10-18-20-22-23-21-18/h4-9,25H,3,10-11H2,1-2H3,(H,20,21,22,23)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226776
PNG
(CHEMBL172225)
Show SMILES CCCCc1c(COc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O3/c1-3-4-5-18-15(8-11-17(13(2)25)19(18)26)12-27-16-9-6-14(7-10-16)20-21-23-24-22-20/h6-11,26H,3-5,12H2,1-2H3,(H,21,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226791
PNG
(CHEMBL173751)
Show SMILES CCCc1c(COc2ccc(OCc3nn[nH]n3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O4/c1-3-4-18-14(5-10-17(13(2)25)20(18)26)11-27-15-6-8-16(9-7-15)28-12-19-21-23-24-22-19/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226789
PNG
(CHEMBL170719)
Show SMILES CCCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O3/c1-3-4-5-19-16(8-11-18(14(2)26)21(19)27)13-28-17-9-6-15(7-10-17)12-20-22-24-25-23-20/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226786
PNG
(CHEMBL174432)
Show SMILES CC(C)Cc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O3/c1-13(2)10-19-16(6-9-18(14(3)26)21(19)27)12-28-17-7-4-15(5-8-17)11-20-22-24-25-23-20/h4-9,13,27H,10-12H2,1-3H3,(H,22,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226771
PNG
(CHEMBL171575)
Show SMILES CCCc1c(CSc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C19H20N4O2S/c1-3-4-17-14(7-10-16(12(2)24)18(17)25)11-26-15-8-5-13(6-9-15)19-20-22-23-21-19/h5-10,25H,3-4,11H2,1-2H3,(H,20,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity was evaluated against Cysteinyl leukotriene D4 receptor induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226787
PNG
(CHEMBL274505)
Show SMILES CCCc1c(CNc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H23N5O2/c1-3-4-18-15(7-10-17(13(2)26)20(18)27)12-21-16-8-5-14(6-9-16)11-19-22-24-25-23-19/h5-10,21,27H,3-4,11-12H2,1-2H3,(H,22,23,24,25)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226799
PNG
(CHEMBL173951)
Show SMILES CCCc1c(COc2ccc(\C=C\c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H22N4O3/c1-3-4-19-16(8-11-18(14(2)26)21(19)27)13-28-17-9-5-15(6-10-17)7-12-20-22-24-25-23-20/h5-12,27H,3-4,13H2,1-2H3,(H,22,23,24,25)/b12-7+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226797
PNG
(CHEMBL173579)
Show SMILES CCCc1c(COc2ccc(CCCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H26N4O3/c1-3-5-20-17(10-13-19(15(2)27)22(20)28)14-29-18-11-8-16(9-12-18)6-4-7-21-23-25-26-24-21/h8-13,28H,3-7,14H2,1-2H3,(H,23,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50006812
PNG
(7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...)
Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226775
PNG
(CHEMBL172991)
Show SMILES CCCc1c(COCCOc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O4/c1-3-4-19-16(7-10-18(14(2)26)20(19)27)13-28-11-12-29-17-8-5-15(6-9-17)21-22-24-25-23-21/h5-10,27H,3-4,11-13H2,1-2H3,(H,22,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226785
PNG
(CHEMBL174175)
Show SMILES CCCc1c(COc2cccc(Cc3nnn[nH]3)c2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O3/c1-3-5-18-15(8-9-17(13(2)25)20(18)26)12-27-16-7-4-6-14(10-16)11-19-21-23-24-22-19/h4,6-10,26H,3,5,11-12H2,1-2H3,(H,21,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226794
PNG
(CHEMBL354189)
Show SMILES CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(=O)CC)c1O
Show InChI InChI=1S/C21H24N4O3/c1-3-5-17-15(8-11-18(21(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-20-22-24-25-23-20/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226778
PNG
(CHEMBL172434)
Show SMILES CCCc1c(COCCOc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H26N4O4/c1-3-4-20-17(7-10-19(15(2)27)22(20)28)14-29-11-12-30-18-8-5-16(6-9-18)13-21-23-25-26-24-21/h5-10,28H,3-4,11-14H2,1-2H3,(H,23,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226777
PNG
(CHEMBL167597)
Show SMILES CCCc1c(OCc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C19H20N4O3/c1-3-4-16-17(10-9-15(12(2)24)18(16)25)26-11-13-5-7-14(8-6-13)19-20-22-23-21-19/h5-10,25H,3-4,11H2,1-2H3,(H,20,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226796
PNG
(CHEMBL355462)
Show SMILES CC(=O)c1ccc(COc2ccc(cc2)-c2nn[nH]n2)c(C)c1O
Show InChI InChI=1S/C17H16N4O3/c1-10-13(5-8-15(11(2)22)16(10)23)9-24-14-6-3-12(4-7-14)17-18-20-21-19-17/h3-8,23H,9H2,1-2H3,(H,18,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226774
PNG
(CHEMBL173217)
Show SMILES CCCc1c(CSCc2ccc(cc2)-c2nn[nH]n2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O2S/c1-3-4-18-16(9-10-17(13(2)25)19(18)26)12-27-11-14-5-7-15(8-6-14)20-21-23-24-22-20/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226782
PNG
(CHEMBL173000)
Show SMILES CCCc1c(COc2ccc(cc2)-c2nn[nH]n2)ccc(C=O)c1O
Show InChI InChI=1S/C18H18N4O3/c1-2-3-16-14(5-4-13(10-23)17(16)24)11-25-15-8-6-12(7-9-15)18-19-21-22-20-18/h4-10,24H,2-3,11H2,1H3,(H,19,20,21,22)
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n/an/a 398n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226783
PNG
(CHEMBL170520)
Show SMILES CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C21H24N4O3/c1-4-5-19-16(8-11-18(14(2)26)21(19)27-3)13-28-17-9-6-15(7-10-17)12-20-22-24-25-23-20/h6-11H,4-5,12-13H2,1-3H3,(H,22,23,24,25)
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n/an/a 501n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226773
PNG
(CHEMBL171675)
Show SMILES CCCc1c(COc2ccc(Cc3nnn(C)n3)cc2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C21H24N4O3/c1-4-5-19-16(8-11-18(14(2)26)21(19)27)13-28-17-9-6-15(7-10-17)12-20-22-24-25(3)23-20/h6-11,27H,4-5,12-13H2,1-3H3
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n/an/a 631n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226798
PNG
(CHEMBL434734)
Show SMILES CCCc1c(COc2ccccc2Cc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C20H22N4O3/c1-3-6-17-15(9-10-16(13(2)25)20(17)26)12-27-18-8-5-4-7-14(18)11-19-21-23-24-22-19/h4-5,7-10,26H,3,6,11-12H2,1-2H3,(H,21,22,23,24)
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n/an/a 631n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50226780
PNG
(CHEMBL352513)
Show SMILES CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(\C(C)=N/O)c1O
Show InChI InChI=1S/C20H23N5O3/c1-3-4-18-15(7-10-17(20(18)26)13(2)23-27)12-28-16-8-5-14(6-9-16)11-19-21-24-25-22-19/h5-10,26-27H,3-4,11-12H2,1-2H3,(H,21,22,24,25)/b23-13-
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n/an/a 1.59E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LTD4-induced contraction in guinea pig ileum


J Med Chem 30: 911-8 (1987)


BindingDB Entry DOI: 10.7270/Q25X2B45
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%