Found 10 hits Enz. Inhib. hit(s) with Target = 'Cysteinyl leukotriene receptor 1' and Ligand = 'BDBM50023198' 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) | BDBM50023198
(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) | PDB
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| 0.800 | 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) | BDBM50023198
(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) | PDB
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| 0.800 | 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 Cysteinyl leukotriene receptor 1 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) | BDBM50023198
(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) | PDB
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| n/a | n/a | 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description
Displacement of [3H]ICI from cysteinyl leukotriene receptor 1 in Hartley guinea pig lung membrane after 30 mins by liquid scintillation counting meth... |
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)) | BDBM50023198
(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) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | 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 |
3D Structure (crystal) |
Cysteinyl leukotriene receptor 1
(GUINEA PIG) | BDBM50023198
(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) | PDB
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| n/a | n/a | 1 | 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
(Homo sapiens (Human)) | BDBM50023198
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50023198
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50023198
(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) | PDB
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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)) | BDBM50023198
(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) | PDB
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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) | BDBM50023198
(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) | PDB
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| n/a | n/a | n/a | 2.14E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Dissociation constant for CysLT1 receptor was determined by the displacement of [3H]LTD4 from guinea pig lung membranes |
Bioorg Med Chem Lett 7: 1331-1336 (1997)
Article DOI: 10.1016/S0960-894X(97)00219-9
BindingDB Entry DOI: 10.7270/Q2JD4WTR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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