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Patent code US10370368

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
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410055
PNG
(US10370368, Example 2 | US10370368, Example 3)
Show SMILES CC1(CC1)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@H](O)[C@@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H27N3O5S2/c1-29(10-11-29)39(35,36)32-28(34)23-5-3-2-4-22(23)18-7-9-24-25(13-18)37-16-20(27(24)33)12-21-8-6-19(14-31-21)26-15-30-17-38-26/h2-9,13-15,17,20,27,33H,10-12,16H2,1H3,(H,32,34)/t20-,27+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410091
PNG
(N-(Cyclopropylsulfonyl)-2-((rac-trans)-4-hydroxy-3...)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cn2)-c2cncs2)COc2cc(ccc12)-c1ccccc1C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C28H25N3O5S2/c32-27-19(11-20-7-5-18(13-30-20)26-14-29-16-37-26)15-36-25-12-17(6-10-24(25)27)22-3-1-2-4-23(22)28(33)31-38(34,35)21-8-9-21/h1-7,10,12-14,16,19,21,27,32H,8-9,11,15H2,(H,31,33)/t19-,27+/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410092
PNG
(N-(Cyclopropylsulfonyl)-2-((rac-trans)-4-hydroxy-3...)
Show SMILES Cc1ncc(s1)-c1ccc(C[C@H]2COc3cc(ccc3[C@@H]2O)-c2ccccc2C(=O)NS(=O)(=O)C2CC2)nc1
Show InChI InChI=1S/C29H27N3O5S2/c1-17-30-15-27(38-17)19-6-8-21(31-14-19)12-20-16-37-26-13-18(7-11-25(26)28(20)33)23-4-2-3-5-24(23)29(34)32-39(35,36)22-9-10-22/h2-8,11,13-15,20,22,28,33H,9-10,12,16H2,1H3,(H,32,34)/t20-,28+/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410088
PNG
(US10370368, Example 5)
Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@@H](O)[C@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H29N3O5S2/c1-29(2,3)39(35,36)32-28(34)23-7-5-4-6-22(23)18-9-11-24-25(13-18)37-16-20(27(24)33)12-21-10-8-19(14-31-21)26-15-30-17-38-26/h4-11,13-15,17,20,27,33H,12,16H2,1-3H3,(H,32,34)/t20-,27+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410090
PNG
(N-(tert-Butylsulfonyl)-2-((rac-trans)-4-hydroxy-3-...)
Show SMILES Cc1ncc(s1)-c1ccc(C[C@H]2COc3cc(ccc3[C@@H]2O)-c2ccccc2C(=O)NS(=O)(=O)C(C)(C)C)nc1
Show InChI InChI=1S/C30H31N3O5S2/c1-18-31-16-27(39-18)20-9-11-22(32-15-20)13-21-17-38-26-14-19(10-12-25(26)28(21)34)23-7-5-6-8-24(23)29(35)33-40(36,37)30(2,3)4/h5-12,14-16,21,28,34H,13,17H2,1-4H3,(H,33,35)/t21-,28+/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410087
PNG
(N-(tert-Butylsulfonyl)-2-((rac-trans)-4-hydroxy-3-...)
Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@H](O)[C@@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H29N3O5S2/c1-29(2,3)39(35,36)32-28(34)23-7-5-4-6-22(23)18-9-11-24-25(13-18)37-16-20(27(24)33)12-21-10-8-19(14-31-21)26-15-30-17-38-26/h4-11,13-15,17,20,27,33H,12,16H2,1-3H3,(H,32,34)/t20-,27+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410094
PNG
(N-(Cyclopropylsulfonyl)-2-((3R,4S or 3S,4R)-4-hydr...)
Show SMILES Cc1ncc(s1)-c1ccc(C[C@@H]2COc3cc(ccc3[C@H]2O)-c2ccccc2C(=O)NS(=O)(=O)C2CC2)nc1
Show InChI InChI=1S/C29H27N3O5S2/c1-17-30-15-27(38-17)19-6-8-21(31-14-19)12-20-16-37-26-13-18(7-11-25(26)28(20)33)23-4-2-3-5-24(23)29(34)32-39(35,36)22-9-10-22/h2-8,11,13-15,20,22,28,33H,9-10,12,16H2,1H3,(H,32,34)/t20-,28+/m1/s1
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n/an/an/an/a 391n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410089
PNG
(US10370368, Example 6)
Show SMILES CC(C)(C)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@H](O)[C@@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H29N3O5S2/c1-29(2,3)39(35,36)32-28(34)23-7-5-4-6-22(23)18-9-11-24-25(13-18)37-16-20(27(24)33)12-21-10-8-19(14-31-21)26-15-30-17-38-26/h4-11,13-15,17,20,27,33H,12,16H2,1-3H3,(H,32,34)/t20-,27+/m0/s1
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n/an/an/an/a 128n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410051
PNG
(US10370368, Example 1)
Show SMILES CC1(CC1)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@@H](O)[C@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H27N3O5S2/c1-29(10-11-29)39(35,36)32-28(34)23-5-3-2-4-22(23)18-7-9-24-25(13-18)37-16-20(27(24)33)12-21-8-6-19(14-31-21)26-15-30-17-38-26/h2-9,13-15,17,20,27,33H,10-12,16H2,1H3,(H,32,34)/t20-,27+/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410055
PNG
(US10370368, Example 2 | US10370368, Example 3)
Show SMILES CC1(CC1)S(=O)(=O)NC(=O)c1ccccc1-c1ccc2[C@H](O)[C@@H](Cc3ccc(cn3)-c3cncs3)COc2c1
Show InChI InChI=1S/C29H27N3O5S2/c1-29(10-11-29)39(35,36)32-28(34)23-5-3-2-4-22(23)18-7-9-24-25(13-18)37-16-20(27(24)33)12-21-8-6-19(14-31-21)26-15-30-17-38-26/h2-9,13-15,17,20,27,33H,10-12,16H2,1H3,(H,32,34)/t20-,27+/m0/s1
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n/an/an/an/a 78n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM410092
PNG
(N-(Cyclopropylsulfonyl)-2-((rac-trans)-4-hydroxy-3...)
Show SMILES Cc1ncc(s1)-c1ccc(C[C@H]2COc3cc(ccc3[C@@H]2O)-c2ccccc2C(=O)NS(=O)(=O)C2CC2)nc1
Show InChI InChI=1S/C29H27N3O5S2/c1-17-30-15-27(38-17)19-6-8-21(31-14-19)12-20-16-37-26-13-18(7-11-25(26)28(20)33)23-4-2-3-5-24(23)29(34)32-39(35,36)22-9-10-22/h2-8,11,13-15,20,22,28,33H,9-10,12,16H2,1H3,(H,32,34)/t20-,28+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP...


US Patent US10370368 (2019)


BindingDB Entry DOI: 10.7270/Q26W9DFN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%