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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'nason' and Initial = 'wc'   
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))
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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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225202
PNG
(CHEMBL49572)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCCCC(O)=O)cc2c1C(C)=O)C(C)=O
Show InChI InChI=1S/C30H34O8/c1-4-7-24-26(14-12-23(19(2)31)30(24)35)37-16-6-17-38-27-13-10-21-9-11-22(36-15-5-8-28(33)34)18-25(21)29(27)20(3)32/h9-14,18,35H,4-8,15-17H2,1-3H3,(H,33,34)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225299
PNG
(CHEMBL301537)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C29H38O8/c1-5-10-23-25(14-12-21(19(3)30)28(23)34)35-16-8-7-9-17-36-29-22(20(4)31)13-15-26(24(29)11-6-2)37-18-27(32)33/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225201
PNG
(CHEMBL51531)
Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C30H40O9/c1-5-8-24-26(13-11-22(20(3)31)29(24)35)38-18-16-36-17-19-39-30-23(21(4)32)12-14-27(25(30)9-6-2)37-15-7-10-28(33)34/h11-14,35H,5-10,15-19H2,1-4H3,(H,33,34)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225199
PNG
(CHEMBL51034)
Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C28H36O9/c1-5-7-22-24(11-9-20(18(3)29)27(22)33)35-15-13-34-14-16-36-28-21(19(4)30)10-12-25(23(28)8-6-2)37-17-26(31)32/h9-12,33H,5-8,13-17H2,1-4H3,(H,31,32)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225197
PNG
(CHEMBL50987)
Show SMILES CCCc1c(O)c(ccc1OCCCOCCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C32H44O9/c1-5-10-26-28(15-13-24(22(3)33)31(26)37)40-20-8-17-38-18-9-21-41-32-25(23(4)34)14-16-29(27(32)11-6-2)39-19-7-12-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225107
PNG
(CHEMBL49914)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCC(O)=O)cc2c1C(C)=O)C(C)=O
Show InChI InChI=1S/C28H30O8/c1-4-6-22-24(12-10-21(17(2)29)28(22)33)34-13-5-14-35-25-11-8-19-7-9-20(36-16-26(31)32)15-23(19)27(25)18(3)30/h7-12,15,33H,4-6,13-14,16H2,1-3H3,(H,31,32)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225105
PNG
(CHEMBL298523)
Show SMILES CCCc1c(O)c(ccc1OCCOCCOc1c(CCC)c(OCCCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C32H44O9/c1-5-10-26-28(15-13-24(22(3)33)31(26)37)40-20-18-38-19-21-41-32-25(23(4)34)14-16-29(27(32)11-6-2)39-17-9-7-8-12-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50224299
PNG
(CHEMBL48968)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1ccc2ccc(OCC(O)=O)cc2c1C(C)=O)C(C)=O
Show InChI InChI=1S/C30H34O8/c1-4-8-24-26(14-12-23(19(2)31)30(24)35)36-15-6-5-7-16-37-27-13-10-21-9-11-22(38-18-28(33)34)17-25(21)29(27)20(3)32/h9-14,17,35H,4-8,15-16,18H2,1-3H3,(H,33,34)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50223898
PNG
(CHEMBL300904)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C29H38O8/c1-5-9-23-25(14-12-21(19(3)30)28(23)34)36-17-8-18-37-29-22(20(4)31)13-15-26(24(29)10-6-2)35-16-7-11-27(32)33/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50223883
PNG
(CHEMBL417904)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCC(O)=O)cc2c1)C(C)=O
Show InChI InChI=1S/C26H28O7/c1-3-5-23-24(11-10-22(17(2)27)26(23)30)32-13-4-12-31-20-8-6-18-7-9-21(15-19(18)14-20)33-16-25(28)29/h6-11,14-15,30H,3-5,12-13,16H2,1-2H3,(H,28,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225200
PNG
(CHEMBL50813)
Show SMILES CCCc1c(O)c(ccc1OCCCOCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C30H40O9/c1-5-9-24-26(13-11-22(20(3)31)29(24)35)37-17-7-15-36-16-8-18-38-30-23(21(4)32)12-14-27(25(30)10-6-2)39-19-28(33)34/h11-14,35H,5-10,15-19H2,1-4H3,(H,33,34)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225198
PNG
(CHEMBL299396)
Show SMILES CCCc1c(O)c(ccc1OCCCCOCCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C32H44O9/c1-5-11-26-28(15-13-24(22(3)33)31(26)37)39-19-9-7-17-38-18-8-10-20-40-32-25(23(4)34)14-16-29(27(32)12-6-2)41-21-30(35)36/h13-16,37H,5-12,17-21H2,1-4H3,(H,35,36)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225301
PNG
(CHEMBL430947)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1cccc(OCC(O)=O)c1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-6-19-20(10-9-18(15(2)23)22(19)26)28-12-5-11-27-16-7-4-8-17(13-16)29-14-21(24)25/h4,7-10,13,26H,3,5-6,11-12,14H2,1-2H3,(H,24,25)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225203
PNG
(CHEMBL301561)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1c(CCC)c(OCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C31H42O8/c1-5-11-25-27(16-14-23(21(3)32)30(25)36)37-18-8-7-9-19-39-31-24(22(4)33)15-17-28(26(31)12-6-2)38-20-10-13-29(34)35/h14-17,36H,5-13,18-20H2,1-4H3,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50223884
PNG
(CHEMBL301916)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1c(CCC)c(OCCCCCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C31H42O8/c1-5-11-25-27(16-14-23(21(3)32)30(25)36)38-19-10-20-39-31-24(22(4)33)15-17-28(26(31)12-6-2)37-18-9-7-8-13-29(34)35/h14-17,36H,5-13,18-20H2,1-4H3,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225300
PNG
(CHEMBL51002)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1c(CCC)c(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C27H34O8/c1-5-8-21-23(12-10-19(17(3)28)26(21)32)33-14-7-15-34-27-20(18(4)29)11-13-24(22(27)9-6-2)35-16-25(30)31/h10-13,32H,5-9,14-16H2,1-4H3,(H,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50225196
PNG
(CHEMBL432127)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc2ccc(OCCCC(O)=O)cc2c1)C(C)=O
Show InChI InChI=1S/C28H32O7/c1-3-6-25-26(13-12-24(19(2)29)28(25)32)35-16-5-15-34-23-11-9-20-8-10-22(17-21(20)18-23)33-14-4-7-27(30)31/h8-13,17-18,32H,3-7,14-16H2,1-2H3,(H,30,31)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of SRS-A-induced contractions in guinea pig ileum


J Med Chem 30: 173-8 (1987)


BindingDB Entry DOI: 10.7270/Q2D220TJ
More data for this
Ligand-Target Pair