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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'friedrich' and Initial = 'c'   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395298
PNG
(6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)
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n/an/a 1.30n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395298
PNG
(6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395296
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)
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n/an/a 3.40n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395296
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)
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n/an/a 3.40n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395307
PNG
(N-{2-[2-(1-Hydroxycyclopropyl)ethyl]-6-(2-hydroxyp...)
Show SMILES CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3/c1-20(2,31)14-11-16-13(12-29(28-16)9-8-21(32)6-7-21)10-17(14)27-19(30)15-4-3-5-18(26-15)22(23,24)25/h3-5,10-12,31-32H,6-9H2,1-2H3,(H,27,30)
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n/an/a 3.70n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395307
PNG
(N-{2-[2-(1-Hydroxycyclopropyl)ethyl]-6-(2-hydroxyp...)
Show SMILES CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3/c1-20(2,31)14-11-16-13(12-29(28-16)9-8-21(32)6-7-21)10-17(14)27-19(30)15-4-3-5-18(26-15)22(23,24)25/h3-5,10-12,31-32H,6-9H2,1-2H3,(H,27,30)
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n/an/a 3.70n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395288
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(3-methoxypropyl)-2H...)
Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C21H23F3N4O3/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-31-3)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395288
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(3-methoxypropyl)-2H...)
Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C21H23F3N4O3/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-31-3)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395304
PNG
(5-Fluoro-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydro...)
Show SMILES Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H27FN4O3/c1-13-16(23)6-7-17(24-13)20(28)25-19-10-14-12-27(9-8-21(2,3)29)26-18(14)11-15(19)22(4,5)30/h6-7,10-12,29-30H,8-9H2,1-5H3,(H,25,28)
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n/an/a 8.90n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395304
PNG
(5-Fluoro-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydro...)
Show SMILES Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H27FN4O3/c1-13-16(23)6-7-17(24-13)20(28)25-19-10-14-12-27(9-8-21(2,3)29)26-18(14)11-15(19)22(4,5)30/h6-7,10-12,29-30H,8-9H2,1-5H3,(H,25,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548486
PNG
(CHEMBL4741994)
Show SMILES CC(=O)N1CCC2(CC1)C(CC=C)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548475
PNG
(CHEMBL4747248)
Show SMILES CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccc(F)c3)cc21)S(=O)(=O)c1ccc(F)cc1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395297
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)
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n/an/a 10.7n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395297
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)
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n/an/a 10.7n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395299
PNG
(6-(Difluoromethyl)-N-{6-(2-hydroxypropan-2-yl)-2-[...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)
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n/an/a 10.8n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395299
PNG
(6-(Difluoromethyl)-N-{6-(2-hydroxypropan-2-yl)-2-[...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395300
PNG
(6-(Difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(...)
Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)
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Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395300
PNG
(6-(Difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(...)
Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395305
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES Cc1cccc(n1)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H28N4O3/c1-14-7-6-8-17(23-14)20(27)24-19-11-15-13-26(10-9-21(2,3)28)25-18(15)12-16(19)22(4,5)29/h6-8,11-13,28-29H,9-10H2,1-5H3,(H,24,27)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395305
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES Cc1cccc(n1)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H28N4O3/c1-14-7-6-8-17(23-14)20(27)24-19-11-15-13-26(10-9-21(2,3)28)25-18(15)12-16(19)22(4,5)29/h6-8,11-13,28-29H,9-10H2,1-5H3,(H,24,27)
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n/an/a 13.3n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395293
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)-...)
Show SMILES CC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29)
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Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395293
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)-...)
Show SMILES CC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50041550
PNG
(CHEMBL3358413)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C29H26ClF4N3O5S2/c30-19-14-22(29(32,33)34)24(35-15-19)16-36-27(38)18-3-8-25-23(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548475
PNG
(CHEMBL4747248)
Show SMILES CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccc(F)c3)cc21)S(=O)(=O)c1ccc(F)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548469
PNG
(CHEMBL4762368)
Show SMILES [O-][S+]1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1 |(35.81,-1.68,;35.41,-3.17,;36.5,-4.27,;36.11,-5.75,;34.63,-6.15,;33.53,-5.08,;33.93,-3.59,;35.55,-7.39,;37.09,-7.37,;38.44,-8.13,;38.42,-6.58,;34.66,-8.66,;33.18,-8.2,;31.84,-8.97,;30.51,-8.21,;30.51,-6.67,;29.17,-5.91,;27.84,-6.68,;27.85,-8.22,;26.5,-5.92,;26.5,-4.38,;25.17,-3.62,;23.83,-4.39,;23.85,-5.94,;25.18,-6.7,;31.83,-5.89,;33.16,-6.65,;35.15,-10.11,;36.63,-9.71,;36.24,-11.2,;34.14,-11.27,;32.63,-10.97,;31.61,-12.13,;32.11,-13.59,;31.1,-14.76,;33.63,-13.89,;34.64,-12.72,)|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395295
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4S/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-33(3,31)32)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395295
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4S/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-33(3,31)32)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548468
PNG
(CHEMBL4747322)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548463
PNG
(CHEMBL4781434)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548488
PNG
(CHEMBL4780737)
Show SMILES CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548488
PNG
(CHEMBL4780737)
Show SMILES CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548493
PNG
(BAY-784)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395301
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(4,4,4-trifluorobuty...)
Show SMILES CC(C)(O)c1cc2nn(CCCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N4O2/c1-19(2,33)13-10-15-12(11-31(30-15)8-4-7-20(22,23)24)9-16(13)29-18(32)14-5-3-6-17(28-14)21(25,26)27/h3,5-6,9-11,33H,4,7-8H2,1-2H3,(H,29,32)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

US Patent US10793545 (2020)


BindingDB Entry DOI: 10.7270/Q29S1V3D
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM395301
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(4,4,4-trifluorobuty...)
Show SMILES CC(C)(O)c1cc2nn(CCCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N4O2/c1-19(2,33)13-10-15-12(11-31(30-15)8-4-7-20(22,23)24)9-16(13)29-18(32)14-5-3-6-17(28-14)21(25,26)27/h3,5-6,9-11,33H,4,7-8H2,1-2H3,(H,29,32)
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Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...

Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548486
PNG
(CHEMBL4741994)
Show SMILES CC(=O)N1CCC2(CC1)C(CC=C)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548483
PNG
(CHEMBL4761024)
Show SMILES CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50548493
PNG
(BAY-784)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548467
PNG
(CHEMBL4787856)
Show SMILES OC1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1 |(36.16,-32.54,;35.77,-34.03,;36.86,-35.12,;36.47,-36.6,;34.98,-37.01,;33.89,-35.93,;34.29,-34.44,;35.91,-38.25,;37.45,-38.23,;38.8,-38.98,;38.77,-37.44,;35.02,-39.51,;33.54,-39.05,;32.2,-39.83,;30.86,-39.06,;30.86,-37.52,;29.53,-36.76,;28.2,-37.54,;28.2,-39.08,;26.86,-36.77,;26.86,-35.24,;25.52,-34.47,;24.19,-35.25,;24.2,-36.8,;25.54,-37.55,;32.18,-36.75,;33.52,-37.5,;35.51,-40.97,;36.99,-40.56,;36.6,-42.05,;34.49,-42.13,;32.98,-41.83,;31.97,-42.99,;32.47,-44.45,;31.46,-45.61,;33.99,-44.74,;35,-43.58,)|
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UniChem
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
PDB

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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548470
PNG
(CHEMBL4749974)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=N)(=O)CC2)c2cc(NC(=O)c3cccnc3)ccc12
PDB

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UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548493
PNG
(BAY-784)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
PDB

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MCE
PC cid
PC sid
UniChem
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PubMed
n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50548473
PNG
(CHEMBL4740373)
Show SMILES CC1N(c2ccc(cc2C11CCNCC1)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
KEGG

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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followed ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50548473
PNG
(CHEMBL4740373)
Show SMILES CC1N(c2ccc(cc2C11CCNCC1)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followed ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50548472
PNG
(CHEMBL4749790)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)C2(CCN(CC2)C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1Cl
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followed ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
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