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Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'imagawa' and Initial = 'a'   
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


(Homo sapiens (Human))
BDBM50104905
PNG
(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
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n/an/a 0.220n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104904
PNG
(CHEMBL3597617)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32ClNO5/c1-22-25(8-6-11-30(22)34)7-3-4-20-40-27-16-13-24(14-17-27)12-15-26-9-5-10-29-28(18-19-31(36)37)23(2)35(33(26)29)21-32(38)39/h5-6,8-11,13-14,16-17H,3-4,7,18-21H2,1-2H3,(H,36,37)(H,38,39)
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n/an/a 0.320n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104883
PNG
(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 0.470n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104872
PNG
(CHEMBL3597535)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
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n/an/a 0.560n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104864
PNG
(CHEMBL3597527)
Show SMILES Cc1c(Cl)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1
Show InChI InChI=1S/C33H34ClNO5/c1-23-25(8-5-12-30(23)34)7-2-3-20-40-28-18-15-24(16-19-28)14-17-26-9-4-11-29-27(10-6-13-31(36)37)21-35(33(26)29)22-32(38)39/h4-5,8-9,11-12,14-19,21H,2-3,6-7,10,13,20,22H2,1H3,(H,36,37)(H,38,39)/b17-14+
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n/an/a 0.620n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104910
PNG
(CHEMBL3597623)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-12-32(24)36)8-3-4-23-42-29-18-15-26(16-19-29)14-17-28-10-5-11-31-30(20-21-34(40)41)25(2)37(35(28)31)22-7-13-33(38)39/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-23H2,1-2H3,(H,38,39)(H,40,41)
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n/an/a 0.790n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104869
PNG
(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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n/an/a 0.800n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104905
PNG
(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
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n/an/a 0.880n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104883
PNG
(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 0.890n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104839
PNG
(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104867
PNG
(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335416
PNG
(5-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1ccc(s1)-c1[nH]c(nc1F)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335414
PNG
(4-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104920
PNG
(CHEMBL3597633)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104871
PNG
(CHEMBL3597534)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36FNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM294112
PNG
(US9585881, Example 99 | methyl [4-(2-{(2S,4S)-1-[(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
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n/an/a 1.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9585881 (2017)


BindingDB Entry DOI: 10.7270/Q2D50Q0R
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238267
PNG
(US9394250, 99)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCC(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,(10.48,2.25,;9.14,3.02,;7.81,2.25,;7.81,.71,;6.48,3.02,;5.14,2.25,;5.14,.71,;3.81,-.06,;2.47,.71,;2.47,2.25,;3.81,3.02,;1.14,-.06,;-.32,.41,;-1.23,-.83,;-.32,-2.08,;1.14,-1.6,;2.47,-2.37,;-2.56,-.53,;-3.04,.93,;-4.58,.93,;-5.05,-.53,;-3.81,-1.44,;-3.81,-2.98,;-2.47,-3.75,;-5.14,-3.75,;-6.48,-2.98,;-7.81,-3.75,;-7.81,-5.29,;-6.48,-6.06,;-5.14,-5.29,;-9.14,-6.06,;-9.14,-7.6,;-10.48,-5.29,;-5.35,2.26,;-4.58,3.6,;-5.35,4.93,;-6.89,4.93,;-7.66,3.6,;-6.89,2.26,;-7.66,6.27,;-8.43,7.6,;-6.32,7.04,;-8.99,5.5,)|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-20-9-7-17(8-10-20)23-24(29)34-26(33-23)22-15-21(35-11-13-36(14-12-35)43(2,40)41)16-37(22)27(38)19-5-3-18(4-6-19)25(30)31/h7-10,18-19,21-22H,3-6,11-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t18?,19?,21-,22-/s2
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n/an/a 1.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335412
PNG
(4-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 1.40n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335399
PNG
((3S)-3-[5-(6-amino-3-pyridinyl)-4-chloro-1H-imidaz...)
Show SMILES Nc1ccc(cn1)-c1[nH]c(nc1Cl)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104911
PNG
(CHEMBL3597624)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104869
PNG
(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104836
PNG
(CHEMBL3597522)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12
Show InChI InChI=1S/C32H33NO6/c34-30(35)13-7-9-26-22-33(23-31(36)37)32-25(8-6-12-29(26)32)17-14-24-15-18-28(19-16-24)39-21-5-4-20-38-27-10-2-1-3-11-27/h1-3,6,8,10-12,14-19,22H,4-5,7,9,13,20-21,23H2,(H,34,35)(H,36,37)/b17-14+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335418
PNG
(4-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1scc(c1F)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104870
PNG
(CHEMBL3597533)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-27(34)18-28(35)32(37)31(26)36/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335413
PNG
(5-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335419
PNG
(4-(5-{7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-ox...)
Show SMILES OC(=O)c1cc(cs1)-c1nc(F)c([nH]1)C1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104921
PNG
(CHEMBL3597634)
Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (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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n/an/a 1.90n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50104920
PNG
(CHEMBL3597633)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335415
PNG
(4-(2-{(6S)-2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104839
PNG
(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50104911
PNG
(CHEMBL3597624)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50104870
PNG
(CHEMBL3597533)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-27(34)18-28(35)32(37)31(26)36/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104868
PNG
(CHEMBL3597531)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)c(F)cc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-31(36)27(34)18-28(35)32(26)37/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9585881 (2017)


BindingDB Entry DOI: 10.7270/Q2D50Q0R
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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n/an/a 2.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50052024
PNG
(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r|
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238268
PNG
(US9394250, 98 | US9585881, Example 98)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H39N9O5S/c1-41-27(38)31-20-5-3-18(4-6-20)22-16-30-24(32-22)23-15-21(33-11-13-35(14-12-33)42(2,39)40)17-36(23)25(37)19-7-9-34(10-8-19)26(28)29/h3-6,16,19,21,23H,7-15,17H2,1-2H3,(H3,28,29)(H,30,32)(H,31,38)/t21-,23-/s2
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n/an/a 2.30n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238268
PNG
(US9394250, 98 | US9585881, Example 98)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H39N9O5S/c1-41-27(38)31-20-5-3-18(4-6-20)22-16-30-24(32-22)23-15-21(33-11-13-35(14-12-33)42(2,39)40)17-36(23)25(37)19-7-9-34(10-8-19)26(28)29/h3-6,16,19,21,23H,7-15,17H2,1-2H3,(H3,28,29)(H,30,32)(H,31,38)/t21-,23-/s2
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9585881 (2017)


BindingDB Entry DOI: 10.7270/Q2D50Q0R
More data for this
Ligand-Target Pair
CYSLTR2


(Homo sapiens (Human))
BDBM50033085
PNG
(CHEMBL3342955)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1/C30H32N2O7/c33-27(34)13-7-18-32-20-26(30(36)37)39-28-24(11-6-12-25(28)32)31-29(35)22-14-16-23(17-15-22)38-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,35)(H,33,34)(H,36,37)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335393
PNG
(US9732085, 57 | methyl{4-[5-chloro-2-({4-[5-chloro...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)nc1Cl
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n/an/a 2.40n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104867
PNG
(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335393
PNG
(US9732085, 57 | methyl{4-[5-chloro-2-({4-[5-chloro...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)nc1Cl
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n/an/a 2.40n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335408
PNG
(US9732085, 290 | methyl[4-(2-{(3S)-7-[5-chloro-2-(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cc(nn1)C#N
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50104918
PNG
(CHEMBL3597631)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)
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n/an/a 2.60n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335400
PNG
((3S)-3-[5-(6-amino-2-chloro-3-pyridinyl)-1H-imidaz...)
Show SMILES Nc1ccc(-c2cnc([nH]2)[C@@H]2CCc3cc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)c(Cl)n1 |r|
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n/an/a 2.80n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104918
PNG
(CHEMBL3597631)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104840
PNG
(CHEMBL3597526)
Show SMILES Cc1c(F)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1
Show InChI InChI=1S/C33H34FNO5/c1-23-25(8-5-12-30(23)34)7-2-3-20-40-28-18-15-24(16-19-28)14-17-26-9-4-11-29-27(10-6-13-31(36)37)21-35(33(26)29)22-32(38)39/h4-5,8-9,11-12,14-19,21H,2-3,6-7,10,13,20,22H2,1H3,(H,36,37)(H,38,39)/b17-14+
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n/an/a 2.90n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50104915
PNG
(CHEMBL3597628)
Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
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n/an/a 3n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50104838
PNG
(CHEMBL3597524)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12
Show InChI InChI=1S/C32H32ClNO5/c33-27-10-3-7-24(20-27)6-1-2-19-39-28-17-14-23(15-18-28)13-16-25-8-4-11-29-26(9-5-12-30(35)36)21-34(32(25)29)22-31(37)38/h3-4,7-8,10-11,13-18,20-21H,1-2,5-6,9,12,19,22H2,(H,35,36)(H,37,38)/b16-13+
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Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
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