Found 16 hits Enz. Inhib. hit(s) with Target = 'Cysteinyl leukotriene receptor 1' and Ligand = 'BDBM50009073' 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
(Homo sapiens (Human)) | BDBM50009073
(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) | PDB
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| DrugBank PDB Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at Irvine
Curated by PDSP Ki Database
| |
Mol Pharmacol 58: 1601-8 (2000)
Article DOI: 10.1124/mol.58.6.1601 BindingDB Entry DOI: 10.7270/Q2RR1WSG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| PDB Article PubMed
| 0.300 | 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 | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| PDB PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Group
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes |
J Med Chem 34: 1235-42 (1991)
BindingDB Entry DOI: 10.7270/Q2K936HB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Displacement of [3H]LTD4 from cysteinyl leukotriene receptor 1 in Hartley guinea pig parenchymal membrane after 30 mins by liquid scintillation count... |
J Med Chem 60: 5235-5266 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01287 BindingDB Entry DOI: 10.7270/Q2T43WDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Group
Curated by ChEMBL
| Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes |
J Med Chem 33: 1781-90 (1990)
BindingDB Entry DOI: 10.7270/Q2862FDP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group
Curated by ChEMBL
| Assay Description Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes |
J Med Chem 37: 1282-97 (1994)
BindingDB Entry DOI: 10.7270/Q2SN0812 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for the binding of cysLT1 receptor to guinea pig lung membranes. |
Bioorg Med Chem Lett 9: 2773-8 (1999)
BindingDB Entry DOI: 10.7270/Q2MP52G3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes |
Bioorg Med Chem Lett 8: 3577-82 (1999)
BindingDB Entry DOI: 10.7270/Q2833R5M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| PDB Article
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes |
Bioorg Med Chem Lett 5: 1377-1382 (1995)
Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50009073
(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) | PDB
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| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01078 BindingDB Entry DOI: 10.7270/Q2T72NGC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| n/a | n/a | 0.440 | 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 | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50009073
(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) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Inhibition of cysteinyl leukotriene receptor 1 (unknown origin) expressed in HEK293 cell membranes after 45 mins by scintillation spectrometry |
J Med Chem 60: 5235-5266 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01287 BindingDB Entry DOI: 10.7270/Q2T43WDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50009073
(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) | PDB
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| n/a | n/a | 1.90 | 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 | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay |
Bioorg Med Chem Lett 8: 2451-6 (1999)
BindingDB Entry DOI: 10.7270/Q2X63M30 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(Homo sapiens (Human)) | BDBM50009073
(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) | PDB
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| n/a | n/a | 14 | 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 | 3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50009073
(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) | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description Compound was evaluated in vitro for inhibition of [3H]-LTD4 binding to guinea pig lung membrane |
Bioorg Med Chem Lett 8: 965-70 (1999)
BindingDB Entry DOI: 10.7270/Q2V123XT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |