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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Lutropin-choriogonadotropic hormone receptor' and Ligand = 'BDBM50505787'   
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
Lutropin-choriogonadotropic hormone receptor


(Rattus norvegicus)
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at rat luteinizing hormone receptor expressed in rat ovary granulosa GLHR15 cell suspension assessed as reduction in agonist-indu...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human luteinizing hormone receptor assessed as reduction in agonist-induced cAMP production preincubated for 20 mins followed ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in glycoprotein human luteinizing hormone-induced agonist ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in glycoprotein human luteinizing hormone-induced agonist ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in Org 43553-induced agonist activity preincubated for 20 ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in Org 43553-induced agonist activity preincubated for 20 ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in Org 43553-induced agonist activity preincubated for 20 ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in Org 43553-induced agonist activity preincubated for 20 ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in Org 43553-induced agonist activity preincubated for 20 ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in glycoprotein human luteinizing hormone-induced agonist ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in glycoprotein human luteinizing hormone-induced agonist ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human luteinizing hormone receptor assessed as reduction in glycoprotein human luteinizing hormone-induced agonist ...


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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Bayer AG

Curated by ChEMBL


Assay Description
Agonist activity at human luteinizing hormone receptor incubated for 60 mins by cell based TR-FRET assay


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
BindingDB Entry DOI: 10.7270/Q29P34X6
More data for this
Ligand-Target Pair