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Compile Data Set for Download or QSAR

Found 55 hits of ic50 data for polymerid = 50000092,50006576   
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


(Homo sapiens (Human))
BDBM50505809
PNG
(CHEMBL4460075)
Show SMILES Fc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(Cl)cc2)cc1OC(F)(F)F
Show InChI InChI=1S/C21H15ClF4N2O2S/c22-13-3-1-12(2-4-13)19-15-8-10-31-18(15)7-9-28(19)20(29)27-14-5-6-16(23)17(11-14)30-21(24,25)26/h1-6,8,10-11,19H,7,9H2,(H,27,29)
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n/an/a 81n/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))
BDBM50383229
PNG
(CHEMBL2032175)
Show SMILES Clc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H17ClN2OS/c21-15-8-6-14(7-9-15)19-17-11-13-25-18(17)10-12-23(19)20(24)22-16-4-2-1-3-5-16/h1-9,11,13,19H,10,12H2,(H,22,24)
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n/an/a 95n/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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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))
BDBM50505791
PNG
(CHEMBL4587440)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cc2)cc1 |r|
Show InChI InChI=1S/C27H21F2N3O2/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
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))
BDBM50505799
PNG
(CHEMBL4573509)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O2S/c1-26-17-8-2-14(3-9-17)20-18-11-13-27-19(18)10-12-24(20)21(25)23-16-6-4-15(22)5-7-16/h2-9,11,13,20H,10,12H2,1H3,(H,23,25)
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n/an/a 107n/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))
BDBM50505796
PNG
(CHEMBL4531781)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4sccc4C3c3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C26H20ClFN2O2S/c27-18-3-1-17(2-4-18)25-23-14-16-33-24(23)13-15-30(25)26(31)29-20-7-11-22(12-8-20)32-21-9-5-19(28)6-10-21/h1-12,14,16,25H,13,15H2,(H,29,31)
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n/an/a 127n/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))
BDBM50505785
PNG
(CHEMBL4443605)
Show SMILES Fc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C20H15Cl2FN2OS/c21-13-3-1-12(2-4-13)19-15-8-10-27-18(15)7-9-25(19)20(26)24-14-5-6-17(23)16(22)11-14/h1-6,8,10-11,19H,7,9H2,(H,24,26)
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n/an/a 174n/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))
BDBM50505783
PNG
(CHEMBL4458424)
Show SMILES Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|
Show InChI InChI=1S/C25H19F2N5O2/c26-17-5-3-16(4-6-17)23-21-2-1-12-28-22(21)11-13-32(23)25(33)31-19-14-29-24(30-15-19)34-20-9-7-18(27)8-10-20/h1-10,12,14-15,23H,11,13H2,(H,31,33)/t23-/m0/s1
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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))
BDBM50505811
PNG
(CHEMBL4461980)
Show SMILES COc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1 |r|
Show InChI InChI=1S/C22H22N2O3S/c1-26-17-12-16(13-18(14-17)27-2)23-22(25)24-10-8-20-19(9-11-28-20)21(24)15-6-4-3-5-7-15/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/a 193n/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))
BDBM50505797
PNG
(CHEMBL4522381)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C23H24N2O4S/c1-27-17-6-4-15(5-7-17)22-20-9-11-30-21(20)8-10-25(22)23(26)24-16-12-18(28-2)14-19(13-16)29-3/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
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n/an/a 207n/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))
BDBM50505798
PNG
(CHEMBL4581889)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClN2O2S/c1-26-17-7-5-14(6-8-17)20-18-10-12-27-19(18)9-11-24(20)21(25)23-16-4-2-3-15(22)13-16/h2-8,10,12-13,20H,9,11H2,1H3,(H,23,25)
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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))
BDBM50505812
PNG
(CHEMBL4555151)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|
Show InChI InChI=1S/C26H20F2N4O2/c27-18-5-3-17(4-6-18)25-22-2-1-14-29-23(22)13-15-32(25)26(33)31-20-9-12-24(30-16-20)34-21-10-7-19(28)8-11-21/h1-12,14,16,25H,13,15H2,(H,31,33)/t25-/m0/s1
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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))
BDBM50505795
PNG
(CHEMBL4579421)
Show SMILES Clc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H21ClN2O2S/c27-19-11-9-18(10-12-19)25-23-14-16-32-24(23)13-15-29(25)26(30)28-20-5-4-8-22(17-20)31-21-6-2-1-3-7-21/h1-12,14,16-17,25H,13,15H2,(H,28,30)
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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))
BDBM50505793
PNG
(CHEMBL4593222)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)
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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))
BDBM50505789
PNG
(CHEMBL4471621)
Show SMILES COc1ccc(cc1)[C@@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m0/s1
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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))
BDBM50505804
PNG
(CHEMBL4590976)
Show SMILES Clc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H15Cl3N2OS/c21-13-3-1-12(2-4-13)19-17-6-8-27-18(17)5-7-25(19)20(26)24-16-10-14(22)9-15(23)11-16/h1-4,6,8-11,19H,5,7H2,(H,24,26)
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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))
BDBM50505813
PNG
(CHEMBL4580951)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H24N2O2S/c1-15-12-16(2)14-18(13-15)24-23(26)25-10-8-21-20(9-11-28-21)22(25)17-4-6-19(27-3)7-5-17/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
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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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n/an/a 650n/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 1.20E+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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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))
BDBM50505786
PNG
(CHEMBL4560733)
Show SMILES Clc1cc(Cl)cc(NC(=O)N2CCc3sccc3C2c2ccccc2)c1
Show InChI InChI=1S/C20H16Cl2N2OS/c21-14-10-15(22)12-16(11-14)23-20(25)24-8-6-18-17(7-9-26-18)19(24)13-4-2-1-3-5-13/h1-5,7,9-12,19H,6,8H2,(H,23,25)
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n/an/a 1.62E+3n/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))
BDBM50505794
PNG
(CHEMBL4456365)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1ccc(F)c(c1)C(N)=O
Show InChI InChI=1S/C22H20FN3O3S/c1-29-15-5-2-13(3-6-15)20-16-9-11-30-19(16)8-10-26(20)22(28)25-14-4-7-18(23)17(12-14)21(24)27/h2-7,9,11-12,20H,8,10H2,1H3,(H2,24,27)(H,25,28)
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n/an/a 1.68E+3n/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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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))
BDBM50505808
PNG
(CHEMBL4464604)
Show SMILES Fc1ccc(cc1F)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H14Cl2F2N2OS/c21-12-8-13(22)10-14(9-12)25-20(27)26-5-3-18-15(4-6-28-18)19(26)11-1-2-16(23)17(24)7-11/h1-2,4,6-10,19H,3,5H2,(H,25,27)
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n/an/a 1.85E+3n/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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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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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))
BDBM50256858
PNG
(CHEMBL474041 | Cyclopentyl-carbamic acid [1,1',3',...)
Show SMILES O=C(NC1CCCC1)Oc1cc(cc(c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23NO2/c26-24(25-22-13-7-8-14-22)27-23-16-20(18-9-3-1-4-10-18)15-21(17-23)19-11-5-2-6-12-19/h1-6,9-12,15-17,22H,7-8,13-14H2,(H,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]Org43553 from human luteinizing hormone receptor expressed in CHOK1 cells


J Med Chem 52: 2036-42 (2009)


Article DOI: 10.1021/jm801561h
BindingDB Entry DOI: 10.7270/Q2G73DMJ
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50505810
PNG
(CHEMBL4551301)
Show SMILES Clc1cc(Cl)cc(NC(=O)N2CCc3sccc3C2c2ccc(=O)[nH]c2)c1
Show InChI InChI=1S/C19H15Cl2N3O2S/c20-12-7-13(21)9-14(8-12)23-19(26)24-5-3-16-15(4-6-27-16)18(24)11-1-2-17(25)22-10-11/h1-2,4,6-10,18H,3,5H2,(H,22,25)(H,23,26)
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n/an/a 2.31E+3n/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))
BDBM50505802
PNG
(CHEMBL4468163)
Show SMILES Cc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2N2OS/c1-13-2-4-14(5-3-13)20-18-7-9-27-19(18)6-8-25(20)21(26)24-17-11-15(22)10-16(23)12-17/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)
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n/an/a 2.61E+3n/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))
BDBM50505800
PNG
(CHEMBL4588196)
Show SMILES Fc1cccc(c1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN2OS/c21-13-9-14(22)11-16(10-13)24-20(26)25-6-4-18-17(5-7-27-18)19(25)12-2-1-3-15(23)8-12/h1-3,5,7-11,19H,4,6H2,(H,24,26)
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n/an/a 3.13E+3n/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))
BDBM50505801
PNG
(CHEMBL4570127)
Show SMILES Fc1ccccc1C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H15Cl2FN2OS/c21-12-9-13(22)11-14(10-12)24-20(26)25-7-5-18-16(6-8-27-18)19(25)15-3-1-2-4-17(15)23/h1-4,6,8-11,19H,5,7H2,(H,24,26)
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n/an/a 3.24E+3n/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))
BDBM50505792
PNG
(CHEMBL4471875)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=S)Nc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C23H24N2O3S2/c1-26-17-6-4-15(5-7-17)22-20-9-11-30-21(20)8-10-25(22)23(29)24-16-12-18(27-2)14-19(13-16)28-3/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,29)
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n/an/a 3.32E+3n/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))
BDBM50505815
PNG
(CHEMBL4468307)
Show SMILES FC(F)(F)c1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H15Cl2F3N2OS/c22-14-9-15(23)11-16(10-14)27-20(29)28-7-5-18-17(6-8-30-18)19(28)12-1-3-13(4-2-12)21(24,25)26/h1-4,6,8-11,19H,5,7H2,(H,27,29)
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n/an/a 3.65E+3n/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))
BDBM50505816
PNG
(CHEMBL4573451)
Show SMILES Clc1cc(Cl)cc(NC(=O)N2CCc3sccc3C2c2ccncc2)c1
Show InChI InChI=1S/C19H15Cl2N3OS/c20-13-9-14(21)11-15(10-13)23-19(25)24-7-3-17-16(4-8-26-17)18(24)12-1-5-22-6-2-12/h1-2,4-6,8-11,18H,3,7H2,(H,23,25)
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n/an/a 5.18E+3n/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))
BDBM50505788
PNG
(CHEMBL4449797)
Show SMILES COc1ccc(cc1)[C@H]1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C21H18Cl2N2O2S/c1-27-17-4-2-13(3-5-17)20-18-7-9-28-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)/t20-/m1/s1
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n/an/a 6.79E+3n/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))
BDBM50505806
PNG
(CHEMBL4471103)
Show SMILES Clc1cc(Cl)cc(NC(=O)N2CCc3sccc3C2c2cccnc2)c1
Show InChI InChI=1S/C19H15Cl2N3OS/c20-13-8-14(21)10-15(9-13)23-19(25)24-6-3-17-16(4-7-26-17)18(24)12-2-1-5-22-11-12/h1-2,4-5,7-11,18H,3,6H2,(H,23,25)
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n/an/a 7.47E+3n/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))
BDBM50505790
PNG
(CHEMBL4553576)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C24H25NO2S/c1-16-12-17(2)14-18(13-16)15-23(26)25-10-8-22-21(9-11-28-22)24(25)19-4-6-20(27-3)7-5-19/h4-7,9,11-14,24H,8,10,15H2,1-3H3
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n/an/a>1.60E+4n/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))
BDBM50505807
PNG
(CHEMBL4463418)
Show SMILES Cc1ccccc1C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2N2OS/c1-13-4-2-3-5-17(13)20-18-7-9-27-19(18)6-8-25(20)21(26)24-16-11-14(22)10-15(23)12-16/h2-5,7,9-12,20H,6,8H2,1H3,(H,24,26)
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n/an/a>1.65E+4n/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))
BDBM50505784
PNG
(CHEMBL4464888)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1ccc(F)c(c1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H26FN3O4S2/c1-33-19-5-2-17(3-6-19)24-20-9-13-34-23(20)8-10-29(24)25(30)27-18-4-7-21(26)22(16-18)28-11-14-35(31,32)15-12-28/h2-7,9,13,16,24H,8,10-12,14-15H2,1H3,(H,27,30)
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n/an/a>1.65E+4n/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))
BDBM50505803
PNG
(CHEMBL4524393)
Show SMILES CC(C)c1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22Cl2N2OS/c1-14(2)15-3-5-16(6-4-15)22-20-8-10-29-21(20)7-9-27(22)23(28)26-19-12-17(24)11-18(25)13-19/h3-6,8,10-14,22H,7,9H2,1-2H3,(H,26,28)
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n/an/a>1.65E+4n/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))
BDBM50505814
PNG
(CHEMBL4458027)
Show SMILES NC(=O)c1ccc(cc1)C1N(CCc2sccc12)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H17Cl2N3O2S/c22-14-9-15(23)11-16(10-14)25-21(28)26-7-5-18-17(6-8-29-18)19(26)12-1-3-13(4-2-12)20(24)27/h1-4,6,8-11,19H,5,7H2,(H2,24,27)(H,25,28)
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n/an/a>1.65E+4n/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))
BDBM50505805
PNG
(CHEMBL4563783)
Show SMILES Clc1cc(Cl)cc(NC(=O)N2CCc3sccc3C2c2ccccn2)c1
Show InChI InChI=1S/C19H15Cl2N3OS/c20-12-9-13(21)11-14(10-12)23-19(25)24-7-4-17-15(5-8-26-17)18(24)16-3-1-2-6-22-16/h1-3,5-6,8-11,18H,4,7H2,(H,23,25)
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n/an/a>1.65E+4n/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
CD44 antigen


(Homo sapiens (Human))
BDBM50008912
PNG
(CHEMBL3237623)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@]([H])(O[C@H]8[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]9[C@H](O)[C@@H](O)[C@]([H])(O[C@H]%10[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]%11[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%11C(O)=O)[C@@H]%10NC(C)=O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C84H128N6O67/c1-13(97)85-25-37(109)31(103)19(7-91)135-74(25)147-56-39(111)45(117)80(153-62(56)68(124)125)143-51-27(87-15(3)99)76(137-21(9-93)33(51)105)149-58-41(113)47(119)82(155-64(58)70(128)129)145-53-29(89-17(5)101)78(139-23(11-95)35(53)107)151-60-43(115)49(121)84(157-66(60)72(132)133)146-54-30(90-18(6)102)79(140-24(12-96)36(54)108)152-59-42(114)48(120)83(156-65(59)71(130)131)144-52-28(88-16(4)100)77(138-22(10-94)34(52)106)150-57-40(112)46(118)81(154-63(57)69(126)127)142-50-26(86-14(2)98)75(136-20(8-92)32(50)104)148-55-38(110)44(116)73(134)141-61(55)67(122)123/h19-66,73-84,91-96,103-121,134H,7-12H2,1-6H3,(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,73-,74+,75+,76+,77+,78+,79+,80-,81-,82-,83-,84-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@]([H])(O[C@H]8[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008909
PNG
(CHEMBL3237620)
Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
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