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Compile Data Set for Download or QSAR

Found 372 hits of ic50 for UniProtKB: Q9NS75   
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 1/2


(Homo sapiens (Human))		BDBM50227045
PNG
(CHEMBL354129)
Show SMILES CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C24H23N5O4/c1-2-3-4-5-6-14-32-17-12-10-16(11-13-17)24(31)25-19-9-7-8-18-20(30)15-21(33-22(18)19)23-26-28-29-27-23/h5-13,15H,2-4,14H2,1H3,(H,25,31)(H,26,27,28,29)/b6-5+
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n/an/a 0.0310n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (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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n/an/a 0.0440n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227075
PNG
(CHEMBL171021)
Show SMILES CCCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H25N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h6-14,16H,2-5,15H2,1H3,(H,26,32)(H,27,28,29,30)/b7-6+
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n/an/a 0.0600n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227072
PNG
(CHEMBL169790)
Show SMILES C=CCCCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H25N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h2,8-14,16H,1,3-7,15H2,(H,26,32)(H,27,28,29,30)
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n/an/a 0.110n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227054
PNG
(CHEMBL354530)
Show SMILES CCCCCC#CCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H23N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h8-14,16H,2-5,15H2,1H3,(H,26,32)(H,27,28,29,30)
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n/an/a 0.140n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227053
PNG
(CHEMBL170191)
Show SMILES C=CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H23N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h2,6-14,16H,1,3-5,15H2,(H,26,32)(H,27,28,29,30)/b7-6+
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n/an/a 0.160n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069352
PNG
((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069352
PNG
((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
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n/an/a 0.190n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069356
PNG
((R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCc3n2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3,5,7-9,11-12,14-15,17-18,22,32,39H,4,6,10,13,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m1/s1
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n/an/a 0.190n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50068974
PNG
(2,2-Diethyl-N-[3-(7-fluoro-quinolin-2-ylmethoxy)-p...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25FN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069375
PNG
((R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CSCc3n2)c1
Show InChI InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215369
PNG
(CHEMBL368290)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3c(F)cccc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25FN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-16-7-5-8-18(13-16)31-15-17-11-12-19-20(25)9-6-10-21(19)26-17/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))		BDBM50066948
PNG
(CHEMBL3403187)
Show SMILES OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H33NO7/c33-29(34)12-7-19-32-22-28(31(35)36)39-30-24(8-6-11-27(30)32)16-13-23-14-17-26(18-15-23)38-21-5-4-20-37-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,28H,4-5,7,12,19-22H2,(H,33,34)(H,35,36)/b16-13+
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n/an/a 0.310n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated ...

Bioorg Med Chem 23: 2079-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.011
BindingDB Entry DOI: 10.7270/Q2SB47FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069372
PNG
((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
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n/an/a 0.340n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069350
PNG
((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)c3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)19-18-27-13-16-29(37-33(27)34)15-12-25-8-7-10-28(22-25)31(41-24-36(20-21-36)23-32(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,22,31,40H,14,17-21,23-24H2,1-4H3,(H,38,39)/b15-12+/t31-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227047
PNG
(CHEMBL172889)
Show SMILES O=C(Nc1cccc2OCC(Oc12)c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O4/c32-26(19-12-14-20(15-13-19)33-16-5-4-9-18-7-2-1-3-8-18)27-21-10-6-11-22-24(21)35-23(17-34-22)25-28-30-31-29-25/h1-3,6-8,10-15,23H,4-5,9,16-17H2,(H,27,32)(H,28,29,30,31)
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n/an/a 0.370n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215411
PNG
(CHEMBL425675)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(\C=C\c2ccc3ccc(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C25H25FN2O3/c1-3-25(4-2,24(30)31)16-23(29)28-21-7-5-6-17(14-21)8-12-20-13-10-18-9-11-19(26)15-22(18)27-20/h5-15H,3-4,16H2,1-2H3,(H,28,29)(H,30,31)/b12-8+
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(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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n/an/a 0.430n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069372
PNG
((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227136
PNG
(CHEMBL170100)
Show SMILES CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2OCC(Oc12)c1nnn[nH]1
Show InChI InChI=1S/C23H25N5O4/c1-2-3-4-5-6-14-30-17-12-10-16(11-13-17)23(29)24-18-8-7-9-19-21(18)32-20(15-31-19)22-25-27-28-26-22/h5-13,20H,2-4,14-15H2,1H3,(H,24,29)(H,25,26,27,28)/b6-5+
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n/an/a 0.470n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))		BDBM50066911
PNG
(CHEMBL3401689)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C30H32N6O5/c37-27(38)13-7-18-36-20-26(29-32-34-35-33-29)41-28-24(11-6-12-25(28)36)31-30(39)22-14-16-23(17-15-22)40-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,39)(H,37,38)(H,32,33,34,35)
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n/an/a 0.490n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...

Bioorg Med Chem 23: 2079-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.011
BindingDB Entry DOI: 10.7270/Q2SB47FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069364
PNG
((1-{(R)-1-{3-[(E)-2-(6-Butyl-5-methyl-pyridin-2-yl...)
Show SMILES CCCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C36H45NO3S/c1-5-6-14-32-26(2)15-18-30(37-32)19-16-27-10-9-12-29(23-27)33(41-25-36(21-22-36)24-34(38)39)20-17-28-11-7-8-13-31(28)35(3,4)40/h7-13,15-16,18-19,23,33,40H,5-6,14,17,20-22,24-25H2,1-4H3,(H,38,39)/b19-16+/t33-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069355
PNG
((1-{(R)-1-{3-[(E)-2-(6,7-Dihydro-5H-[1]pyrindin-2-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCc3n2)c1
Show InChI InChI=1S/C34H39NO3S/c1-33(2,38)29-11-4-3-8-25(29)15-18-31(39-23-34(19-20-34)22-32(36)37)27-10-5-7-24(21-27)13-16-28-17-14-26-9-6-12-30(26)35-28/h3-5,7-8,10-11,13-14,16-17,21,31,38H,6,9,12,15,18-20,22-23H2,1-2H3,(H,36,37)/b16-13+/t31-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227144
PNG
(CHEMBL83797)
Show SMILES CCCCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C24H25N5O4/c1-2-3-4-5-6-14-32-17-12-10-16(11-13-17)24(31)25-19-9-7-8-18-20(30)15-21(33-22(18)19)23-26-28-29-27-23/h7-13,15H,2-6,14H2,1H3,(H,25,31)(H,26,27,28,29)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216211
PNG
(CHEMBL143597)
Show SMILES CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C35H43NO3S/c1-5-9-31-25(2)14-17-29(36-31)18-15-26-10-8-12-28(22-26)32(40-24-35(20-21-35)23-33(37)38)19-16-27-11-6-7-13-30(27)34(3,4)39/h6-8,10-15,17-18,22,32,39H,5,9,16,19-21,23-24H2,1-4H3,(H,37,38)/b18-15+/t32-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215410
PNG
(CHEMBL369421)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(F)c(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H24F2N2O4/c1-3-24(4-2,23(30)31)13-22(29)28-16-6-5-7-18(11-16)32-14-17-9-8-15-10-19(25)20(26)12-21(15)27-17/h5-12H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,31)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069373
PNG
(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069357
PNG
(CHEMBL141640 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))		BDBM50033089
PNG
(CHEMBL3342959)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H34N2O7/c34-28(35)14-8-19-33-21-27(31(37)38)40-29-25(12-7-13-26(29)33)32-30(36)23-15-17-24(18-16-23)39-20-6-2-5-11-22-9-3-1-4-10-22/h1,3-4,7,9-10,12-13,15-18,27H,2,5-6,8,11,14,19-21H2,(H,32,36)(H,34,35)(H,37,38)
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n/an/a 0.620n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...

ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069373
PNG
(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(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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n/an/a 0.640n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227063
PNG
(CHEMBL170017)
Show SMILES CCCCCC#CCOc1ccc(cc1)C(=O)Nc1cccc2OCC(Oc12)c1nnn[nH]1
Show InChI InChI=1S/C24H25N5O4/c1-2-3-4-5-6-7-15-31-18-13-11-17(12-14-18)24(30)25-19-9-8-10-20-22(19)33-21(16-32-20)23-26-28-29-27-23/h8-14,21H,2-5,15-16H2,1H3,(H,25,30)(H,26,27,28,29)
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216211
PNG
(CHEMBL143597)
Show SMILES CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C35H43NO3S/c1-5-9-31-25(2)14-17-29(36-31)18-15-26-10-8-12-28(22-26)32(40-24-35(20-21-35)23-33(37)38)19-16-27-11-6-7-13-30(27)34(3,4)39/h6-8,10-15,17-18,22,32,39H,5,9,16,19-21,23-24H2,1-4H3,(H,37,38)/b18-15+/t32-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069354
PNG
(CHEMBL141405 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC1CCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C35H41NO3S/c1-24-11-13-27-14-17-29(36-33(24)27)16-12-25-7-6-9-28(21-25)31(40-23-35(19-20-35)22-32(37)38)18-15-26-8-4-5-10-30(26)34(2,3)39/h4-10,12,14,16-17,21,24,31,39H,11,13,15,18-20,22-23H2,1-3H3,(H,37,38)/b16-12+/t24?,31-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069370
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Dihydro-thieno[3,2-b]pyri...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3SCCc3n2)c1
Show InChI InChI=1S/C33H37NO3S2/c1-32(2,37)27-9-4-3-7-24(27)11-14-29(39-22-33(17-18-33)21-31(35)36)25-8-5-6-23(20-25)10-12-26-13-15-30-28(34-26)16-19-38-30/h3-10,12-13,15,20,29,37H,11,14,16-19,21-22H2,1-2H3,(H,35,36)/b12-10+/t29-/m1/s1
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069371
PNG
((1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCC(C)(C)c3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50068987
PNG
(CHEMBL175119 | N-[3-(7-Chloro-quinolin-2-ylmethoxy...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 0.800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216361
PNG
(CHEMBL143326)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2cccc(n2)C2CCC2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-14-4-3-9-26(30)17-19-32(40-24-35(20-21-35)23-33(37)38)28-12-5-8-25(22-28)16-18-29-13-7-15-31(36-29)27-10-6-11-27/h3-5,7-9,12-16,18,22,27,32,39H,6,10-11,17,19-21,23-24H2,1-2H3,(H,37,38)/b18-16+/t32-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216210
PNG
(CHEMBL141234)
Show SMILES CCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C34H41NO3S/c1-5-30-24(2)13-16-28(35-30)17-14-25-9-8-11-27(21-25)31(39-23-34(19-20-34)22-32(36)37)18-15-26-10-6-7-12-29(26)33(3,4)38/h6-14,16-17,21,31,38H,5,15,18-20,22-23H2,1-4H3,(H,36,37)/b17-14+/t31-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227040
PNG
(CHEMBL312105)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C23H23N5O4/c1-2-3-4-5-13-31-16-11-9-15(10-12-16)23(30)24-18-8-6-7-17-19(29)14-20(32-21(17)18)22-25-27-28-26-22/h6-12,14H,2-5,13H2,1H3,(H,24,30)(H,25,26,27,28)
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n/an/a 0.860n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069350
PNG
((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)c3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)19-18-27-13-16-29(37-33(27)34)15-12-25-8-7-10-28(22-25)31(41-24-36(20-21-36)23-32(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,22,31,40H,14,17-21,23-24H2,1-4H3,(H,38,39)/b15-12+/t31-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))		BDBM50033094
PNG
(CHEMBL3342964)
Show SMILES OC(=O)CCCN1C[C@H](Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O |r|
Show InChI InChI=1S/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)/t26-/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...

ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216323
PNG
(CHEMBL141841)
Show SMILES Cc1ccc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)nc1C
Show InChI InChI=1S/C33H39NO3S/c1-23-12-15-28(34-24(23)2)16-13-25-8-7-10-27(20-25)30(38-22-33(18-19-33)21-31(35)36)17-14-26-9-5-6-11-29(26)32(3,4)37/h5-13,15-16,20,30,37H,14,17-19,21-22H2,1-4H3,(H,35,36)/b16-13+/t30-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50069364
PNG
((1-{(R)-1-{3-[(E)-2-(6-Butyl-5-methyl-pyridin-2-yl...)
Show SMILES CCCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C36H45NO3S/c1-5-6-14-32-26(2)15-18-30(37-32)19-16-27-10-9-12-29(23-27)33(41-25-36(21-22-36)24-34(38)39)20-17-28-11-7-8-13-31(28)35(3,4)40/h7-13,15-16,18-19,23,33,40H,5-6,14,17,20-22,24-25H2,1-4H3,(H,38,39)/b19-16+/t33-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50068980
PNG
(2,2-Diethyl-N-[3-(quinolin-2-ylmethoxy)-phenyl]-su...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H26N2O4/c1-3-24(4-2,23(28)29)15-22(27)26-18-9-7-10-20(14-18)30-16-19-13-12-17-8-5-6-11-21(17)25-19/h5-14H,3-4,15-16H2,1-2H3,(H,26,27)(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum

Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227140
PNG
(CHEMBL171689)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O4/c32-22-16-23(25-28-30-31-29-25)35-24-20(22)9-4-10-21(24)27-26(33)18-11-13-19(14-12-18)34-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,27,33)(H,28,29,30,31)
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n/an/a 0.960n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum

J Med Chem 31: 84-91 (1988)


BindingDB Entry DOI: 10.7270/Q20K2BSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50009075
PNG
(CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
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