Found 22 hits in this display Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50052024
(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 | PDB
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| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand |
J Med Chem 41: 1439-45 (1998)
Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50052024
(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 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorios Menarini
Curated by ChEMBL
| Assay Description In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]-LTD4 binding assay in guinea pig lung membranes |
J Med Chem 43: 392-400 (2000)
BindingDB Entry DOI: 10.7270/Q2DJ5DVX |
More data for this Ligand-Target Pair | |
Uracil nucleotide/cysteinyl leukotriene receptor
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 6.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay |
ACS Med Chem Lett 5: 326-30 (2014)
Article DOI: 10.1021/ml400399f BindingDB Entry DOI: 10.7270/Q2445P0D |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB MMDB
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| Article PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2C9 expressed in microsomes isolated from baculovirus infected insect cell after 10 mins |
Drug Metab Dispos 39: 904-11 (2011)
Article DOI: 10.1124/dmd.110.037689 BindingDB Entry DOI: 10.7270/Q2XW4MJ3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB
KEGG
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2C8 expressed in microsomes isolated from baculovirus infected insect cell after 3 mins |
Drug Metab Dispos 39: 904-11 (2011)
Article DOI: 10.1124/dmd.110.037689 BindingDB Entry DOI: 10.7270/Q2XW4MJ3 |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1/2
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
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| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/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
(GUINEA PIG) | BDBM50052024
(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 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes |
Bioorg Med Chem Lett 5: 283-288 (1995)
Article DOI: 10.1016/0960-894X(95)00023-M BindingDB Entry DOI: 10.7270/Q2KD1XW7 |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
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| DrugBank Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptor |
J Med Chem 39: 2629-54 (1996)
Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50052024
(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 | PDB
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| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Displacement of [3H]LTD4 from LTD4 receptor in guinea pig lung membrane |
J Med Chem 59: 8712-8756 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00472 BindingDB Entry DOI: 10.7270/Q29G5PR8 |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1/2
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
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| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
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| DrugBank PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranes |
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
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Setsunan University
Curated by ChEMBL
| Assay Description Antagonist activity at human CysLT1 |
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 | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
KEGG
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02071 BindingDB Entry DOI: 10.7270/Q2833X3S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr... |
ACS Med Chem Lett 7: 335-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00482 BindingDB Entry DOI: 10.7270/Q27D2X19 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
KEGG
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate upto 10 uM after 20 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 224-250 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C8 in human liver microsome using paclitaxel as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01157 BindingDB Entry DOI: 10.7270/Q2K64NZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene C4 synthase
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | <5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Orexo AB
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal His6-tagged LTC4S expressed in in Pichia pastoris X33 assessed as inhibition of EXC4 formation using EXA4 ... |
J Med Chem 62: 7769-7787 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 2
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Setsunan University
Curated by ChEMBL
| Assay Description Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 a... |
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 | |
Probable nicotinate-nucleotide adenylyltransferase
(Staphylococcus aureus subsp. aureus N315) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | 2.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics
Curated by PubChem BioAssay
| |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2BV7F7H |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 2
(Homo sapiens (Human)) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr... |
ACS Med Chem Lett 7: 335-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00482 BindingDB Entry DOI: 10.7270/Q27D2X19 |
More data for this Ligand-Target Pair | |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50052024
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L... |
Bioorg Med Chem 18: 5519-27 (2010)
Article DOI: 10.1016/j.bmc.2010.06.047 BindingDB Entry DOI: 10.7270/Q26D5TZ0 |
More data for this Ligand-Target Pair | |
Streptokinase A
(Streptococcus pyogenes M1 GAS) | BDBM58922
(MLS001304727 | MONTELUKAST Na | SMR000469188 | cid...)Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 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)/p-1/b15-10+/t32-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q2736PBV |
More data for this Ligand-Target Pair | |