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PubMed code 2342072

Compile data set for download or QSAR
Found 22 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


(GUINEA PIG)
BDBM50015528
PNG
(CHEMBL50370 | N-[3-(4-Benzenesulfonylaminocarbonyl...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H33N3O5S/c1-34-20-24(27-19-25(14-15-28(27)34)32-30(35)16-21-8-6-7-9-21)17-22-12-13-23(18-29(22)39-2)31(36)33-40(37,38)26-10-4-3-5-11-26/h3-5,10-15,18-21H,6-9,16-17H2,1-2H3,(H,32,35)(H,33,36)
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0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015523
PNG
(CHEMBL52492 | N-{4-[5-(3-Cyclopentyl-ureido)-1-pro...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)NC3CCCC3)ccc12
Show InChI InChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)
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0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50000819
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)24-13-12-23(29(18-24)40-3)17-25-20-35(2)28-15-14-26(19-27(25)28)33-31(36)16-22-9-5-6-10-22/h4,7-8,11-15,18-20,22H,5-6,9-10,16-17H2,1-3H3,(H,33,36)(H,34,37)
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0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015551
PNG
(CHEMBL301498 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O5S/c1-34-19-22(26-18-24(14-15-27(26)34)32-30(36)31-23-8-6-7-9-23)16-20-12-13-21(17-28(20)39-2)29(35)33-40(37,38)25-10-4-3-5-11-25/h3-5,10-15,17-19,23H,6-9,16H2,1-2H3,(H,33,35)(H2,31,32,36)
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0.800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015517
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O5S/c1-20-7-3-6-10-29(20)40(37,38)34-31(36)23-12-11-22(28(17-23)39-2)16-24-19-32-27-14-13-25(18-26(24)27)33-30(35)15-21-8-4-5-9-21/h3,6-7,10-14,17-19,21,32H,4-5,8-9,15-16H2,1-2H3,(H,33,35)(H,34,36)
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1n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015540
PNG
(CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-30(36)22-13-12-21(28(17-22)40-3)16-23-19-35(2)27-15-14-25(18-26(23)27)33-31(37)32-24-9-5-6-10-24/h4,7-8,11-15,17-19,24H,5-6,9-10,16H2,1-3H3,(H,34,36)(H2,32,33,37)
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1.40n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009070
PNG
((2S,3R)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2...)
Show SMILES O[C@H]([C@H](SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displasement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015542
PNG
(4-[5-Cyclopentyloxycarbonylamino-1-(2-methoxy-ethy...)
Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C26H30N2O6/c1-32-12-11-28-16-19(13-17-7-8-18(25(29)30)14-24(17)33-2)22-15-20(9-10-23(22)28)27-26(31)34-21-5-3-4-6-21/h7-10,14-16,21H,3-6,11-13H2,1-2H3,(H,27,31)(H,29,30)
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41n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015516
PNG
(4-[6-(2-Cyclopentyl-acetylamino)-indazol-1-ylmethy...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H25N3O4/c1-30-21-11-16(23(28)29)6-7-18(21)14-26-20-12-19(9-8-17(20)13-24-26)25-22(27)10-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10,14H2,1H3,(H,25,27)(H,28,29)
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50n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015539
PNG
(4-(5-Cyclopentyloxycarbonylamino-1-propyl-1H-indol...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C26H30N2O5/c1-3-12-28-16-19(13-17-8-9-18(25(29)30)14-24(17)32-2)22-15-20(10-11-23(22)28)27-26(31)33-21-6-4-5-7-21/h8-11,14-16,21H,3-7,12-13H2,1-2H3,(H,27,31)(H,29,30)
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58n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015521
PNG
(4-[5-(2-Cyclopentyl-acetylamino)-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C25H28N2O4/c1-27-15-19(12-17-7-8-18(25(29)30)13-23(17)31-2)21-14-20(9-10-22(21)27)26-24(28)11-16-5-3-4-6-16/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,26,28)(H,29,30)
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80n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015544
PNG
(4-(6-Cyclopentyloxycarbonylamino-indazol-1-ylmethy...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C22H23N3O5/c1-29-20-10-14(21(26)27)6-7-16(20)13-25-19-11-17(9-8-15(19)12-23-25)24-22(28)30-18-4-2-3-5-18/h6-12,18H,2-5,13H2,1H3,(H,24,28)(H,26,27)
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80n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015529
PNG
(4-(5-Cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C24H26N2O5/c1-26-14-17(11-15-7-8-16(23(27)28)12-22(15)30-2)20-13-18(9-10-21(20)26)25-24(29)31-19-5-3-4-6-19/h7-10,12-14,19H,3-6,11H2,1-2H3,(H,25,29)(H,27,28)
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157n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015525
PNG
(4-(5-Cyclopentyloxycarbonylamino-1-methyl-1H-indaz...)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H25N3O5/c1-26-20-10-9-16(24-23(29)31-17-5-3-4-6-17)13-18(20)19(25-26)11-14-7-8-15(22(27)28)12-21(14)30-2/h7-10,12-13,17H,3-6,11H2,1-2H3,(H,24,29)(H,27,28)
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160n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015549
PNG
(4-(6-Cyclopentyloxycarbonylamino-indol-1-ylmethyl)...)
Show SMILES COc1cc(ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H24N2O5/c1-29-21-12-16(22(26)27)6-7-17(21)14-25-11-10-15-8-9-18(13-20(15)25)24-23(28)30-19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)(H,26,27)
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160n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015520
PNG
(4-[6-(2-Cyclopentyl-acetylamino)-indol-1-ylmethyl]...)
Show SMILES COc1cc(ccc1Cn1ccc2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C24H26N2O4/c1-30-22-13-18(24(28)29)6-7-19(22)15-26-11-10-17-8-9-20(14-21(17)26)25-23(27)12-16-4-2-3-5-16/h6-11,13-14,16H,2-5,12,15H2,1H3,(H,25,27)(H,28,29)
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200n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015522
PNG
(4-(5-Cyclopentyloxycarbonylamino-1H-indol-3-ylmeth...)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H24N2O5/c1-29-21-11-15(22(26)27)7-6-14(21)10-16-13-24-20-9-8-17(12-19(16)20)25-23(28)30-18-4-2-3-5-18/h6-9,11-13,18,24H,2-5,10H2,1H3,(H,25,28)(H,26,27)
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236n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015519
PNG
(4-[5-(3-Cyclopentyl-ureido)-1-methyl-1H-indol-3-yl...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C24H27N3O4/c1-27-14-17(11-15-7-8-16(23(28)29)12-22(15)31-2)20-13-19(9-10-21(20)27)26-24(30)25-18-5-3-4-6-18/h7-10,12-14,18H,3-6,11H2,1-2H3,(H,28,29)(H2,25,26,30)
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1.12E+3n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015537
PNG
(4-[5-(2-Ethyl-pentanoylamino)-1-methyl-1H-indol-3-...)
Show SMILES CCCC(CC)C(=O)Nc1ccc2n(C)cc(Cc3ccc(cc3OC)C(O)=O)c2c1
Show InChI InChI=1S/C25H30N2O4/c1-5-7-16(6-2)24(28)26-20-10-11-22-21(14-20)19(15-27(22)3)12-17-8-9-18(25(29)30)13-23(17)31-4/h8-11,13-16H,5-7,12H2,1-4H3,(H,26,28)(H,29,30)
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1.83E+3n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015510
PNG
(4-(5-Hexanoylamino-1-methyl-1H-indol-3-ylmethyl)-3...)
Show SMILES CCCCCC(=O)Nc1ccc2n(C)cc(Cc3ccc(cc3OC)C(O)=O)c2c1
Show InChI InChI=1S/C24H28N2O4/c1-4-5-6-7-23(27)25-19-10-11-21-20(14-19)18(15-26(21)2)12-16-8-9-17(24(28)29)13-22(16)30-3/h8-11,13-15H,4-7,12H2,1-3H3,(H,25,27)(H,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
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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2.82E+3n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


Article DOI: 10.1021/jm00168a037
BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%