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Compile Data Set for Download or QSAR

Found 10 hits from Central Research Division, Pfizer Inc., Groton, CT 06340, USA.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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0.800n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
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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2n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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2n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50215874
PNG
(CHEMBL52102)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C33H29FN2O6S2/c1-19-6-3-4-9-30(19)44(39,40)36-33(38)22-8-5-7-21(14-22)15-25-20(2)42-28-12-11-24(17-26(28)32(25)37)41-18-31-35-27-16-23(34)10-13-29(27)43-31/h3-14,16-17,20,25,32,37H,15,18H2,1-2H3,(H,36,38)/t20-,25-,32-/m1/s1
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3n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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14n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50215871
PNG
(CHEMBL415954)
Show SMILES C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50215875
PNG
(CHEMBL299779)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19-,25-/m1/s1
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27n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50215872
PNG
(CHEMBL50399)
Show SMILES C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19+,25+/m0/s1
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92n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50215873
PNG
(CHEMBL297906)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19-,25+/m1/s1
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434n/an/an/an/an/an/an/an/a



Central Research Division, Pfizer Inc., Groton, CT 06340, USA.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes


Bioorg Med Chem Lett 8: 1791-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00273-x
More data for this
Ligand-Target Pair