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PubMed code 15664839

Compile data set for download or QSAR
Found 11 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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132724
PNG
((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)CCc2ccccn2)c1=O |r|
Show InChI InChI=1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3/t20-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50410085
PNG
(CHEMBL2113012)
Show SMILES COc1cccc(c1)N1CN(Cc2c(F)cccc2F)C(=O)N(C[C@H](N)c2ccccc2)C1=O
Show InChI InChI=1S/C25H24F2N4O3/c1-34-19-10-5-9-18(13-19)31-16-29(14-20-21(26)11-6-12-22(20)27)24(32)30(25(31)33)15-23(28)17-7-3-2-4-8-17/h2-13,23H,14-16,28H2,1H3/t23-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50132728
PNG
(1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)34(17-16-33(2)15-13-22-9-4-5-14-32-22)29(37)35(20)19-24-25(30)11-7-12-26(24)31/h4-12,14,18H,13,15-17,19H2,1-3H3
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 34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160239
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES COc1cccc(c1)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O |r|
Show InChI InChI=1S/C25H22F2N4O4/c1-35-18-10-5-9-17(13-18)31-24(33)29(14-19-20(26)11-6-12-21(19)27)23(32)30(25(31)34)15-22(28)16-7-3-2-4-8-16/h2-13,22H,14-15,28H2,1H3/t22-/m0/s1
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 37n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160242
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2,6-difluoro-ben...)
Show SMILES N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccccc2F)c1=O)c1ccccc1 |wD:1.0,(-2.74,-.19,;-2.72,1.33,;-1.41,2.09,;-.08,1.33,;-.08,-.22,;-1.43,-.98,;1.36,-1.02,;1.36,-3.98,;.02,-4.74,;.03,-6.31,;1.36,-7.07,;-1.33,-7.07,;-2.67,-6.31,;-2.66,-4.76,;-1.33,-3.98,;-1.33,-2.46,;2.57,-.22,;3.91,-.98,;2.57,1.33,;3.93,2.12,;5.24,1.33,;6.58,2.09,;6.61,3.64,;5.24,4.43,;3.93,3.64,;2.59,4.4,;1.25,2.12,;1.25,3.66,;-4.04,2.09,;-4.04,3.62,;-5.36,4.38,;-6.69,3.62,;-6.67,2.07,;-5.36,1.33,)|
Show InChI InChI=1S/C24H19F3N4O3/c25-17-10-6-11-18(26)16(17)13-29-22(32)30(14-20(28)15-7-2-1-3-8-15)24(34)31(23(29)33)21-12-5-4-9-19(21)27/h1-12,20H,13-14,28H2/t20-/m0/s1
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 89n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160240
PNG
(1-(2-Amino-2-phenyl-ethyl)-3-(2,6-difluoro-benzyl)...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CC(N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C25H22F2N4O4/c1-35-18-10-5-9-17(13-18)31-24(33)29(14-19-20(26)11-6-12-21(19)27)23(32)30(25(31)34)15-22(28)16-7-3-2-4-8-16/h2-13,22H,14-15,28H2,1H3
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 120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160236
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2,6-difluoro-ben...)
Show SMILES N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O)c1ccccc1 |wD:1.0,(-2.88,-.17,;-2.88,1.33,;-1.56,2.1,;-.25,1.33,;-.25,-.22,;-1.58,-.98,;1.21,-1.02,;1.21,-3.98,;-.13,-4.74,;-.13,-6.31,;1.21,-7.07,;-1.47,-7.07,;-2.81,-6.31,;-2.81,-4.76,;-1.47,-3.98,;-1.49,-2.45,;2.41,-.22,;3.75,-.97,;2.41,1.33,;3.77,2.12,;3.77,3.65,;2.43,4.4,;5.08,4.42,;6.45,3.64,;6.42,2.09,;5.08,1.33,;5.08,-.19,;1.09,2.12,;1.09,3.66,;-4.19,2.09,;-5.51,1.33,;-6.82,2.07,;-6.85,3.62,;-5.51,4.38,;-4.19,3.62,)|
Show InChI InChI=1S/C24H18F4N4O3/c25-16-8-4-9-17(26)15(16)12-30-22(33)31(13-20(29)14-6-2-1-3-7-14)24(35)32(23(30)34)21-18(27)10-5-11-19(21)28/h1-11,20H,12-13,29H2/t20-/m0/s1
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 220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160235
PNG
(1-[2-Amino-3-(1H-indol-3-yl)-propyl]-3-(2,6-difluo...)
Show SMILES NC(Cc1c[nH]c2ccccc12)Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O |(-3.42,2.79,;-2.07,2.05,;-.76,2.81,;-.78,4.34,;.45,5.24,;-.04,6.68,;-1.55,6.68,;-2.57,7.8,;-4.05,7.46,;-4.53,6.03,;-3.49,4.9,;-2.01,5.22,;-2.07,.52,;-.72,-.26,;-.72,-1.81,;-2.07,-2.58,;.62,-2.69,;.62,-5.65,;-.72,-6.41,;-2.07,-5.65,;-2.07,-4.12,;-3.42,-6.42,;-3.42,-7.97,;-2.07,-8.75,;-.72,-7.97,;.62,-8.75,;1.95,-1.81,;3.29,-2.58,;1.95,-.26,;3.29,.52,;3.29,2.05,;1.97,2.81,;4.63,2.84,;5.97,2.05,;5.97,.5,;4.63,-.26,;4.63,-1.79,;.62,.52,;.62,2.07,)|
Show InChI InChI=1S/C27H21F4N5O3/c28-19-6-3-7-20(29)18(19)14-35-25(37)34(13-16(32)11-15-12-33-23-10-2-1-5-17(15)23)26(38)36(27(35)39)24-21(30)8-4-9-22(24)31/h1-10,12,16,33H,11,13-14,32H2
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 380n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160243
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-benzo[1,2,5]thiad...)
Show SMILES N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1
Show InChI InChI=1S/C24H18F2N6O3S/c25-17-7-4-8-18(26)16(17)12-30-22(33)31(13-19(27)14-5-2-1-3-6-14)24(35)32(23(30)34)15-9-10-20-21(11-15)29-36-28-20/h1-11,19H,12-13,27H2/t19-/m0/s1
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 410n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160241
PNG
(1-(2,6-Difluoro-benzyl)-3-(3-methoxy-phenyl)-5-{2-...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCN(C)CCc2ccccn2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C27H27F2N5O4/c1-31(14-12-19-7-3-4-13-30-19)15-16-32-25(35)33(18-22-23(28)10-6-11-24(22)29)27(37)34(26(32)36)20-8-5-9-21(17-20)38-2/h3-11,13,17H,12,14-16,18H2,1-2H3
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 4.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160238
PNG
(3-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-met...)
Show SMILES COc1cccc(c1)-c1c(C)n(CCN(C)CCc2ccccn2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C29H30F2N4O3/c1-20-27(21-8-6-10-23(18-21)38-3)28(36)35(19-24-25(30)11-7-12-26(24)31)29(37)34(20)17-16-33(2)15-13-22-9-4-5-14-32-22/h4-12,14,18H,13,15-17,19H2,1-3H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%