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PubMed code 15026056

Compile data set for download or QSAR
Found 5 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)
BDBM50142655
PNG
(2-{4-[4'-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-...)
Show SMILES CCCCCCNC(=O)Cn1c(O)c(Cc2ccc(cc2)-c2ccc(CN(CCCC)C(=O)NC)cc2)n(C)c1=O
Show InChI InChI=1S/C32H45N5O4/c1-5-7-9-10-19-34-29(38)23-37-30(39)28(35(4)32(37)41)21-24-11-15-26(16-12-24)27-17-13-25(14-18-27)22-36(20-8-6-2)31(40)33-3/h11-18,39H,5-10,19-23H2,1-4H3,(H,33,40)(H,34,38)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
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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PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142653
PNG
(3'-(1-Butyl-3-methyl-ureidomethyl)-biphenyl-4-carb...)
Show SMILES CCCCN(Cc1cccc(c1)-c1ccc(cc1)C(=O)NC1CCCCN(CC(=O)NCCc2ccc(Cl)cc2)C1=O)C(=O)NC
Show InChI InChI=1S/C36H44ClN5O4/c1-3-4-21-42(36(46)38-2)24-27-8-7-9-30(23-27)28-13-15-29(16-14-28)34(44)40-32-10-5-6-22-41(35(32)45)25-33(43)39-20-19-26-11-17-31(37)18-12-26/h7-9,11-18,23,32H,3-6,10,19-22,24-25H2,1-2H3,(H,38,46)(H,39,43)(H,40,44)
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n/an/an/an/a 260n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens)
BDBM50142652
PNG
(CHEMBL47120 | {2'-[(Acetyl-butyl-amino)-methyl]-bi...)
Show SMILES CCCCOC(=O)N(CC(=O)NCC1CC1)Cc1ccc(cc1)-c1ccccc1CN(CCCC)C(C)=O
Show InChI InChI=1S/C31H43N3O4/c1-4-6-18-33(24(3)35)22-28-10-8-9-11-29(28)27-16-14-26(15-17-27)21-34(31(37)38-19-7-5-2)23-30(36)32-20-25-12-13-25/h8-11,14-17,25H,4-7,12-13,18-23H2,1-3H3,(H,32,36)
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PubMed
n/an/an/an/a 3.90E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
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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PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%