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Articleid 50029375

Compile data set for download or QSAR
Found 11 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)
BDBM50283939
PNG
((S)-3-{(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1CC(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C34H36ClNO3S/c1-23(33(37)38)22-40-32(18-14-25-8-4-5-9-28(25)21-34(2,3)39)27-10-6-7-24(19-27)11-16-30-17-13-26-12-15-29(35)20-31(26)36-30/h4-13,15-17,19-20,23,32,39H,14,18,21-22H2,1-3H3,(H,37,38)/b16-11+/t23-,32+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283938
PNG
((S)-3-[(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C31H28ClNO3S/c1-21(31(35)36)20-37-30(16-12-23-6-2-3-7-26(23)19-34)25-8-4-5-22(17-25)9-14-28-15-11-24-10-13-27(32)18-29(24)33-28/h2-11,13-15,17-19,21,30H,12,16,20H2,1H3,(H,35,36)/b14-9+/t21-,30+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283936
PNG
((S)-3-[(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES C[C@H](CS[C@@H](CCc1cccc(CO)c1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C31H30ClNO3S/c1-21(31(35)36)20-37-30(15-9-22-4-2-6-24(16-22)19-34)26-7-3-5-23(17-26)8-13-28-14-11-25-10-12-27(32)18-29(25)33-28/h2-8,10-14,16-18,21,30,34H,9,15,19-20H2,1H3,(H,35,36)/b13-8+/t21-,30+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283943
PNG
((S)-3-{(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C33H34ClNO3S/c1-22(32(36)37)21-39-31(18-14-24-8-4-5-10-29(24)33(2,3)38)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31,38H,14,18,21H2,1-3H3,(H,36,37)/b16-11+/t22-,31+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283945
PNG
((S)-3-((S)-3-(2-Acetyl-phenyl)-1-{3-[(E)-2-(7-chlo...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C(C)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1)C(O)=O |w:21.21|
Show InChI InChI=1S/C32H30ClNO3S/c1-21(32(36)37)20-38-31(17-13-24-7-3-4-9-29(24)22(2)35)26-8-5-6-23(18-26)10-15-28-16-12-25-11-14-27(33)19-30(25)34-28/h3-12,14-16,18-19,21,31H,13,17,20H2,1-2H3,(H,36,37)/t21-,31+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283941
PNG
((S)-3-[(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1CO)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C31H30ClNO3S/c1-21(31(35)36)20-37-30(16-12-23-6-2-3-7-26(23)19-34)25-8-4-5-22(17-25)9-14-28-15-11-24-10-13-27(32)18-29(24)33-28/h2-11,13-15,17-18,21,30,34H,12,16,19-20H2,1H3,(H,35,36)/b14-9+/t21-,30+/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283940
PNG
((S)-3-[(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES CCC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |w:25.25|
Show InChI InChI=1S/C33H32ClNO3S/c1-3-31(36)29-10-5-4-8-24(29)14-18-32(39-21-22(2)33(37)38)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,32H,3,14,18,21H2,1-2H3,(H,37,38)/t22-,32+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283942
PNG
(2-((S)-3-((S)-2-Carboxy-propylsulfanyl)-3-{3-[(E)-...)
Show SMILES CCOC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C33H32ClNO4S/c1-3-39-33(38)29-10-5-4-8-24(29)14-18-31(40-21-22(2)32(36)37)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31H,3,14,18,21H2,1-2H3,(H,36,37)/b16-11+/t22-,31+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283944
PNG
((S)-3-((S)-3-(2-Benzoyl-phenyl)-1-{3-[(E)-2-(7-chl...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C(=O)c1ccccc1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1)C(O)=O |w:27.29|
Show InChI InChI=1S/C37H32ClNO3S/c1-25(37(41)42)24-43-35(21-17-27-9-5-6-13-33(27)36(40)29-10-3-2-4-11-29)30-12-7-8-26(22-30)14-19-32-20-16-28-15-18-31(38)23-34(28)39-32/h2-16,18-20,22-23,25,35H,17,21,24H2,1H3,(H,41,42)/t25-,35+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283937
PNG
((S)-3-((S)-3-(3-Acetyl-phenyl)-1-{3-[(E)-2-(7-chlo...)
Show SMILES C[C@H](CS[C@@H](CCc1cccc(c1)C(C)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1)C(O)=O |w:21.21|
Show InChI InChI=1S/C32H30ClNO3S/c1-21(32(36)37)20-38-31(16-10-24-5-3-7-26(17-24)22(2)35)27-8-4-6-23(18-27)9-14-29-15-12-25-11-13-28(33)19-30(25)34-29/h3-9,11-15,17-19,21,31H,10,16,20H2,1-2H3,(H,36,37)/t21-,31+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50283946
PNG
(3-((S)-3-((S)-2-Carboxy-propylsulfanyl)-3-{3-[(E)-...)
Show SMILES COC(=O)c1cccc(CC[C@H](SC[C@@H](C)C(O)=O)c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)c1
Show InChI InChI=1S/C32H30ClNO4S/c1-21(31(35)36)20-39-30(16-10-23-6-4-8-26(18-23)32(37)38-2)25-7-3-5-22(17-25)9-14-28-15-12-24-11-13-27(33)19-29(24)34-28/h3-9,11-15,17-19,21,30H,10,16,20H2,1-2H3,(H,35,36)/b14-9+/t21-,30+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%