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PubMed code 15026057

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142678
PNG
(CHEMBL44663 | N-Butyl-N-[4'-((2S,5S)-4-hexyl-1,5-d...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(C)=O)c2)C1=O
Show InChI InChI=1S/C32H45N3O3/c1-6-8-10-11-20-35-24(3)31(37)33(5)30(32(35)38)22-26-15-17-28(18-16-26)29-14-12-13-27(21-29)23-34(25(4)36)19-9-7-2/h12-18,21,24,30H,6-11,19-20,22-23H2,1-5H3/t24-,30-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142670
PNG
(1-[4'-((2S,5S)-1,5-Dimethyl-4-octyl-3,6-dioxo-pipe...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(COC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C32H46N4O4/c1-6-7-8-9-10-11-19-36-24(2)30(37)34(4)29(31(36)38)21-25-15-17-27(18-16-25)28-14-12-13-26(20-28)22-35(23-40-5)32(39)33-3/h12-18,20,24,29H,6-11,19,21-23H2,1-5H3,(H,33,39)/t24-,29-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142657
PNG
((3S,6S)-1-Heptyl-4,6-dimethyl-3-(3',4',5'-trimetho...)
Show SMILES CCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H40N2O5/c1-7-8-9-10-11-16-31-20(2)28(32)30(3)24(29(31)33)17-21-12-14-22(15-13-21)23-18-25(34-4)27(36-6)26(19-23)35-5/h12-15,18-20,24H,7-11,16-17H2,1-6H3/t20-,24-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142672
PNG
(Butyl-[4'-((2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxo-...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C34H49N3O4/c1-6-8-10-11-12-13-22-37-26(3)32(38)35(4)31(33(37)39)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-36(21-9-7-2)34(40)41-5/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3/t26-,31-/m0/s1
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n/an/an/an/a 31n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142674
PNG
((3S,6R)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethox...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25+/m0/s1
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n/an/an/an/a 68n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142677
PNG
((S)-4-Methyl-1-pentyl-3-(3',4',5'-trimethoxy-biphe...)
Show SMILES CCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C26H34N2O5/c1-6-7-8-13-28-17-24(29)27(2)21(26(28)30)14-18-9-11-19(12-10-18)20-15-22(31-3)25(33-5)23(16-20)32-4/h9-12,15-16,21H,6-8,13-14,17H2,1-5H3/t21-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142651
PNG
(CHEMBL300022 | N-Hexyl-2-[(S)-4-methyl-2,5-dioxo-3...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H39N3O6/c1-6-7-8-9-14-30-26(33)18-32-19-27(34)31(2)23(29(32)35)15-20-10-12-21(13-11-20)22-16-24(36-3)28(38-5)25(17-22)37-4/h10-13,16-17,23H,6-9,14-15,18-19H2,1-5H3,(H,30,33)/t23-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142657
PNG
((3S,6S)-1-Heptyl-4,6-dimethyl-3-(3',4',5'-trimetho...)
Show SMILES CCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H40N2O5/c1-7-8-9-10-11-16-31-20(2)28(32)30(3)24(29(31)33)17-21-12-14-22(15-13-21)23-18-25(34-4)27(36-6)26(19-23)35-5/h12-15,18-20,24H,7-11,16-17H2,1-6H3/t20-,24-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142681
PNG
((S)-4-Methyl-1-octyl-3-(3',4',5'-trimethoxy-biphen...)
Show SMILES CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H40N2O5/c1-6-7-8-9-10-11-16-31-20-27(32)30(2)24(29(31)33)17-21-12-14-22(15-13-21)23-18-25(34-3)28(36-5)26(19-23)35-4/h12-15,18-19,24H,6-11,16-17,20H2,1-5H3/t24-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142676
PNG
((3S,6S)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethox...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFollicle stimulating hormone receptor cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142675
PNG
(1-Butyl-1-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-di...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C32H46N4O3/c1-6-8-10-11-20-36-24(3)30(37)34(5)29(31(36)38)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-35(19-9-7-2)32(39)33-4/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3,(H,33,39)/t24-,29-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142667
PNG
(2-[(S)-4-Ethyl-2,5-dioxo-3-(3',4',5'-trimethoxy-bi...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N(CC)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H41N3O6/c1-6-8-9-10-15-31-27(34)19-32-20-28(35)33(7-2)24(30(32)36)16-21-11-13-22(14-12-21)23-17-25(37-3)29(39-5)26(18-23)38-4/h11-14,17-18,24H,6-10,15-16,19-20H2,1-5H3,(H,31,34)/t24-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142671
PNG
((S)-3-(3',5'-Dimethoxy-biphenyl-4-ylmethyl)-4-meth...)
Show SMILES CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)cc(OC)c2)C1=O
Show InChI InChI=1S/C28H38N2O4/c1-5-6-7-8-9-10-15-30-20-27(31)29(2)26(28(30)32)16-21-11-13-22(14-12-21)23-17-24(33-3)19-25(18-23)34-4/h11-14,17-19,26H,5-10,15-16,20H2,1-4H3/t26-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142679
PNG
((R)-1-Hexyl-4-methyl-3-(3',4',5'-trimethoxy-biphen...)
Show SMILES CCCCCCN1CC(=O)N(C)[C@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C27H36N2O5/c1-6-7-8-9-14-29-18-25(30)28(2)22(27(29)31)15-19-10-12-20(13-11-19)21-16-23(32-3)26(34-5)24(17-21)33-4/h10-13,16-17,22H,6-9,14-15,18H2,1-5H3/t22-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142665
PNG
((3S,6S)-1-Hexyl-4,6-dimethyl-3-(3',4',5'-trimethox...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C28H38N2O5/c1-7-8-9-10-15-30-19(2)27(31)29(3)23(28(30)32)16-20-11-13-21(14-12-20)22-17-24(33-4)26(35-6)25(18-22)34-5/h11-14,17-19,23H,7-10,15-16H2,1-6H3/t19-,23-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142675
PNG
(1-Butyl-1-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-di...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C32H46N4O3/c1-6-8-10-11-20-36-24(3)30(37)34(5)29(31(36)38)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-35(19-9-7-2)32(39)33-4/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3,(H,33,39)/t24-,29-/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142654
PNG
(2-{(S)-3-[3'-(1-Butyl-3-methyl-ureidomethyl)-biphe...)
Show SMILES CCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C32H45N5O4/c1-5-7-9-17-34-29(38)22-37-23-30(39)35(4)28(31(37)40)20-24-13-15-26(16-14-24)27-12-10-11-25(19-27)21-36(18-8-6-2)32(41)33-3/h10-16,19,28H,5-9,17-18,20-23H2,1-4H3,(H,33,41)(H,34,38)/t28-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142662
PNG
(1-Butyl-1-[4'-((2S,5S)-1,5-dimethyl-4-octyl-3,6-di...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C34H50N4O3/c1-6-8-10-11-12-13-22-38-26(3)32(39)36(5)31(33(38)40)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-37(21-9-7-2)34(41)35-4/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3,(H,35,41)/t26-,31-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142676
PNG
((3S,6S)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethox...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142666
PNG
((S)-1-Heptyl-4-methyl-3-(3',4',5'-trimethoxy-biphe...)
Show SMILES CCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C28H38N2O5/c1-6-7-8-9-10-15-30-19-26(31)29(2)23(28(30)32)16-20-11-13-21(14-12-20)22-17-24(33-3)27(35-5)25(18-22)34-4/h11-14,17-18,23H,6-10,15-16,19H2,1-5H3/t23-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142673
PNG
((3R,6S)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethox...)
Show SMILES CCCCCCCCN1[C@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142656
PNG
(Butyl-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxo-...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C32H45N3O4/c1-6-8-10-11-20-35-24(3)30(36)33(4)29(31(35)37)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-34(19-9-7-2)32(38)39-5/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3/t24-,29-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142664
PNG
(2-[(S)-2,5-Dioxo-4-propyl-3-(3',4',5'-trimethoxy-b...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N(CCC)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C31H43N3O6/c1-6-8-9-10-15-32-28(35)20-33-21-29(36)34(16-7-2)25(31(33)37)17-22-11-13-23(14-12-22)24-18-26(38-3)30(40-5)27(19-24)39-4/h11-14,18-19,25H,6-10,15-17,20-21H2,1-5H3,(H,32,35)/t25-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142662
PNG
(1-Butyl-1-[4'-((2S,5S)-1,5-dimethyl-4-octyl-3,6-di...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
Show InChI InChI=1S/C34H50N4O3/c1-6-8-10-11-12-13-22-38-26(3)32(39)36(5)31(33(38)40)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-37(21-9-7-2)34(41)35-4/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3,(H,35,41)/t26-,31-/m0/s1
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n/an/an/an/a 7.90n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142669
PNG
(CHEMBL47953 | [4'-((2S,5S)-1,5-Dimethyl-4-octyl-3,...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(COC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C32H45N3O5/c1-6-7-8-9-10-11-19-35-24(2)30(36)33(3)29(31(35)37)21-25-15-17-27(18-16-25)28-14-12-13-26(20-28)22-34(23-39-4)32(38)40-5/h12-18,20,24,29H,6-11,19,21-23H2,1-5H3/t24-,29-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142661
PNG
(CHEMBL47059 | N-Butyl-N-[4'-((2S,5S)-1,5-dimethyl-...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(C)=O)c2)C1=O
Show InChI InChI=1S/C34H49N3O3/c1-6-8-10-11-12-13-22-37-26(3)33(39)35(5)32(34(37)40)24-28-17-19-30(20-18-28)31-16-14-15-29(23-31)25-36(27(4)38)21-9-7-2/h14-20,23,26,32H,6-13,21-22,24-25H2,1-5H3/t26-,32-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142668
PNG
((S)-1-Hexyl-4-methyl-3-(3',4',5'-trimethoxy-biphen...)
Show SMILES CCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C27H36N2O5/c1-6-7-8-9-14-29-18-25(30)28(2)22(27(29)31)15-19-10-12-20(13-11-19)21-16-23(32-3)26(34-5)24(17-21)33-4/h10-13,16-17,22H,6-9,14-15,18H2,1-5H3/t22-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142663
PNG
(2-[(S)-2,5-Dioxo-3-(3',4',5'-trimethoxy-biphenyl-4...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C28H37N3O6/c1-5-6-7-8-13-29-25(32)17-31-18-26(33)30-22(28(31)34)14-19-9-11-20(12-10-19)21-15-23(35-2)27(37-4)24(16-21)36-3/h9-12,15-16,22H,5-8,13-14,17-18H2,1-4H3,(H,29,32)(H,30,33)/t22-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142661
PNG
(CHEMBL47059 | N-Butyl-N-[4'-((2S,5S)-1,5-dimethyl-...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(C)=O)c2)C1=O
Show InChI InChI=1S/C34H49N3O3/c1-6-8-10-11-12-13-22-37-26(3)33(39)35(5)32(34(37)40)24-28-17-19-30(20-18-28)31-16-14-15-29(23-31)25-36(27(4)38)21-9-7-2/h14-20,23,26,32H,6-13,21-22,24-25H2,1-5H3/t26-,32-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was determined in CHO-hFSHR cell-based cAMP accumulation assay


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142659
PNG
((S)-3-(3',4'-Dimethoxy-biphenyl-4-ylmethyl)-4-meth...)
Show SMILES CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccc(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C28H38N2O4/c1-5-6-7-8-9-10-17-30-20-27(31)29(2)24(28(30)32)18-21-11-13-22(14-12-21)23-15-16-25(33-3)26(19-23)34-4/h11-16,19,24H,5-10,17-18,20H2,1-4H3/t24-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142680
PNG
(CHEMBL46216 | N-[4'-((2S,5S)-1,5-Dimethyl-4-octyl-...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(COC)C(C)=O)c2)C1=O
Show InChI InChI=1S/C32H45N3O4/c1-6-7-8-9-10-11-19-35-24(2)31(37)33(4)30(32(35)38)21-26-15-17-28(18-16-26)29-14-12-13-27(20-29)22-34(23-39-5)25(3)36/h12-18,20,24,30H,6-11,19,21-23H2,1-5H3/t24-,30-/m0/s1
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n/an/an/an/a 9.70n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142672
PNG
(Butyl-[4'-((2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxo-...)
Show SMILES CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C34H49N3O4/c1-6-8-10-11-12-13-22-37-26(3)32(38)35(4)31(33(37)39)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-36(21-9-7-2)34(40)41-5/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3/t26-,31-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142656
PNG
(Butyl-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxo-...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C32H45N3O4/c1-6-8-10-11-20-35-24(3)30(36)33(4)29(31(35)37)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-34(19-9-7-2)32(38)39-5/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3/t24-,29-/m0/s1
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PubMed
n/an/an/an/a 8.90n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142658
PNG
((S)-3-(4'-Methoxy-3',5'-dimethyl-biphenyl-4-ylmeth...)
Show SMILES CCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(C)c(OC)c(C)c2)C1=O
Show InChI InChI=1S/C29H40N2O3/c1-6-7-8-9-10-11-16-31-20-27(32)30(4)26(29(31)33)19-23-12-14-24(15-13-23)25-17-21(2)28(34-5)22(3)18-25/h12-15,17-18,26H,6-11,16,19-20H2,1-5H3/t26-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142682
PNG
((3R,6R)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethox...)
Show SMILES CCCCCCCCN1[C@H](C)C(=O)N(C)[C@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142660
PNG
((S)-4-Methyl-1-nonyl-3-(3',4',5'-trimethoxy-biphen...)
Show SMILES CCCCCCCCCN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C30H42N2O5/c1-6-7-8-9-10-11-12-17-32-21-28(33)31(2)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-3)29(37-5)27(20-24)36-4/h13-16,19-20,25H,6-12,17-18,21H2,1-5H3/t25-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142656
PNG
(Butyl-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxo-...)
Show SMILES CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)OC)c2)C1=O
Show InChI InChI=1S/C32H45N3O4/c1-6-8-10-11-20-35-24(3)30(36)33(4)29(31(35)37)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-34(19-9-7-2)32(38)39-5/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3/t24-,29-/m0/s1
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n/an/an/an/a 59n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%