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PubMed code 20580563

Compile data set for download or QSAR
Found 42 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
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322299
PNG
(CHEMBL1173643 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCNCC2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
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n/an/a 3.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50320821
PNG
(CHEMBL1163809 | N-(4-(3-(3-aminopropanamido)phenyl...)
Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322292
PNG
(CHEMBL1171484 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES NCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C25H18FN5O4/c26-15-6-7-17(21(32)10-15)20-11-18(14-3-1-4-16(9-14)29-23(33)13-28)19(12-27)24(30-20)31-25(34)22-5-2-8-35-22/h1-11,32H,13,28H2,(H,29,33)(H,30,31,34)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322307
PNG
(CHEMBL1169901 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CNCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322300
PNG
(CHEMBL1173644 | N-{3-Cyano-4-[3-(1,4-diazepan-1-yl...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCCNCC2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C28H24FN5O3/c29-19-7-8-21(25(35)15-19)24-16-22(18-4-1-5-20(14-18)34-11-3-9-31-10-12-34)23(17-30)27(32-24)33-28(36)26-6-2-13-37-26/h1-2,4-8,13-16,31,35H,3,9-12H2,(H,32,33,36)
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n/an/a 7.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50320810
PNG
(CHEMBL1165222 | N-(4-(3-(3-aminopropanamido)phenyl...)
Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C26H20FN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)
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n/an/a 7.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322309
PNG
(CHEMBL1170903 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322313
PNG
(CHEMBL1170896 | rac-N-[3-Cyano-4-(3-{[3-(ethylamin...)
Show SMILES CCNC(CC)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C30H28FN5O4/c1-3-20(33-4-2)15-28(38)34-21-8-5-7-18(13-21)23-16-25(22-11-10-19(31)14-26(22)37)35-29(24(23)17-32)36-30(39)27-9-6-12-40-27/h5-14,16,20,33,37H,3-4,15H2,1-2H3,(H,34,38)(H,35,36,39)
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n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322293
PNG
(CHEMBL1170911 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CNCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C26H20FN5O4/c1-29-14-24(34)30-17-5-2-4-15(10-17)19-12-21(18-8-7-16(27)11-22(18)33)31-25(20(19)13-28)32-26(35)23-6-3-9-36-23/h2-12,29,33H,14H2,1H3,(H,30,34)(H,31,32,35)
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n/an/a 8.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322319
PNG
(CHEMBL1170692 | rac-N-{3-Cyano-6-(4-fluoro-2-hydro...)
Show SMILES CC(C)NC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C30H28FN5O4/c1-17(2)33-18(3)12-28(38)34-21-7-4-6-19(13-21)23-15-25(22-10-9-20(31)14-26(22)37)35-29(24(23)16-32)36-30(39)27-8-5-11-40-27/h4-11,13-15,17-18,33,37H,12H2,1-3H3,(H,34,38)(H,35,36,39)
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n/an/a 9.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322303
PNG
(CHEMBL1170870 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C28H24FN5O3/c29-20-6-7-21(25(35)14-20)24-15-22(19-4-1-3-18(13-19)17-34-10-8-31-9-11-34)23(16-30)27(32-24)33-28(36)26-5-2-12-37-26/h1-7,12-15,31,35H,8-11,17H2,(H,32,33,36)
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n/an/a 9.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322318
PNG
(CHEMBL1170685 | rac-N-[3-Cyano-4-(3-{[3-(ethylamin...)
Show SMILES CCNC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C29H26FN5O4/c1-3-32-17(2)12-27(37)33-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)34-28(23(22)16-31)35-29(38)26-8-5-11-39-26/h4-11,13-15,17,32,36H,3,12H2,1-2H3,(H,33,37)(H,34,35,38)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322310
PNG
(CHEMBL1170904 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322316
PNG
(CHEMBL1170468 | N-[3-Cyano-4-{3-[(N-ethyl-N-methyl...)
Show SMILES CCN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C29H26FN5O4/c1-3-35(2)12-11-27(37)32-20-7-4-6-18(14-20)22-16-24(21-10-9-19(30)15-25(21)36)33-28(23(22)17-31)34-29(38)26-8-5-13-39-26/h4-10,13-16,36H,3,11-12H2,1-2H3,(H,32,37)(H,33,34,38)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322308
PNG
(CHEMBL1169902 | N-[3-Cyano-4-{3-[(N,N-dimethyl-bet...)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-26(36)31-19-6-3-5-17(13-19)21-15-23(20-9-8-18(29)14-24(20)35)32-27(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322302
PNG
(CHEMBL1173008 | N-{3-Cyano-4-[3-(4-ethylpiperazin-...)
Show SMILES CCN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C29H26FN5O3/c1-2-34-10-12-35(13-11-34)21-6-3-5-19(15-21)23-17-25(22-9-8-20(30)16-26(22)36)32-28(24(23)18-31)33-29(37)27-7-4-14-38-27/h3-9,14-17,36H,2,10-13H2,1H3,(H,32,33,37)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322295
PNG
(CHEMBL1171977 | N-[3-Cyano-4-{3-[(N,N-dimethylglyc...)
Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C27H22FN5O4/c1-33(2)15-25(35)30-18-6-3-5-16(11-18)20-13-22(19-9-8-17(28)12-23(19)34)31-26(21(20)14-29)32-27(36)24-7-4-10-37-24/h3-13,34H,15H2,1-2H3,(H,30,35)(H,31,32,36)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322289
PNG
(CHEMBL1171294 | rac-N-[3-Cyano-6-(4-fluoro-2-hydro...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CC3CCCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C30H26FN5O4/c31-19-9-10-22(26(37)14-19)25-16-23(24(17-32)29(35-25)36-30(39)27-8-4-12-40-27)18-5-3-7-21(13-18)34-28(38)15-20-6-1-2-11-33-20/h3-5,7-10,12-14,16,20,33,37H,1-2,6,11,15H2,(H,34,38)(H,35,36,39)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322299
PNG
(CHEMBL1173643 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCNCC2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322297
PNG
(CHEMBL1171296 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CN3CCCCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322301
PNG
(CHEMBL1172940 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322317
PNG
(CHEMBL1170684 | N-[3-Cyano-4-{3-[(N,N-diethyl-beta...)
Show SMILES CCN(CC)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C30H28FN5O4/c1-3-36(4-2)13-12-28(38)33-21-8-5-7-19(15-21)23-17-25(22-11-10-20(31)16-26(22)37)34-29(24(23)18-32)35-30(39)27-9-6-14-40-27/h5-11,14-17,37H,3-4,12-13H2,1-2H3,(H,33,38)(H,34,35,39)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322294
PNG
(CHEMBL1171102 | N-(3-{3-Cyano-6-(4-fluoro-2-hydrox...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C28H22FN5O4/c29-17-8-9-19(24(35)13-17)23-14-20(21(15-30)26(33-23)34-28(37)25-7-3-11-38-25)16-4-1-5-18(12-16)32-27(36)22-6-2-10-31-22/h1,3-5,7-9,11-14,22,31,35H,2,6,10H2,(H,32,36)(H,33,34,37)/t22-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322312
PNG
(CHEMBL1170895 | rac-N-[3-Cyano-4-(3-{[3-(diethylam...)
Show SMILES CCN(CC)C(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C31H30FN5O4/c1-4-37(5-2)19(3)14-29(39)34-22-9-6-8-20(15-22)24-17-26(23-12-11-21(32)16-27(23)38)35-30(25(24)18-33)36-31(40)28-10-7-13-41-28/h6-13,15-17,19,38H,4-5,14H2,1-3H3,(H,34,39)(H,35,36,40)
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322311
PNG
(CHEMBL1170894 | rac-N-[3-Cyano-4-(3-{[3-(dimethyla...)
Show SMILES CC(CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O)N(C)C
Show InChI InChI=1S/C29H26FN5O4/c1-17(35(2)3)12-27(37)32-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)33-28(23(22)16-31)34-29(38)26-8-5-11-39-26/h4-11,13-15,17,36H,12H2,1-3H3,(H,32,37)(H,33,34,38)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322290
PNG
(CHEMBL1171097 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CN1CCC[C@H]1CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O |r|
Show InChI InChI=1S/C30H26FN5O4/c1-36-11-3-7-21(36)15-28(38)33-20-6-2-5-18(13-20)23-16-25(22-10-9-19(31)14-26(22)37)34-29(24(23)17-32)35-30(39)27-8-4-12-40-27/h2,4-6,8-10,12-14,16,21,37H,3,7,11,15H2,1H3,(H,33,38)(H,34,35,39)/t21-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322305
PNG
(CHEMBL1173438 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1
Show InChI InChI=1S/C29H26FN5O3/c1-34-9-11-35(12-10-34)18-19-4-2-5-20(14-19)23-16-25(22-8-7-21(30)15-26(22)36)32-28(24(23)17-31)33-29(37)27-6-3-13-38-27/h2-8,13-16,36H,9-12,18H2,1H3,(H,32,33,37)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322306
PNG
(CHEMBL1173512 | N-[3-Cyano-4-{3-[(4-ethylpiperazin...)
Show SMILES CCN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1
Show InChI InChI=1S/C30H28FN5O3/c1-2-35-10-12-36(13-11-35)19-20-5-3-6-21(15-20)24-17-26(23-9-8-22(31)16-27(23)37)33-29(25(24)18-32)34-30(38)28-7-4-14-39-28/h3-9,14-17,37H,2,10-13,19H2,1H3,(H,33,34,38)
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322307
PNG
(CHEMBL1169901 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CNCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322291
PNG
(CHEMBL1171483 | N-[3-Cyano-4-(3-{[2-(dimethylamino...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-31-27(36)18-6-3-5-17(13-18)21-15-23(20-9-8-19(29)14-24(20)35)32-26(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322314
PNG
(CHEMBL1171797 | rac-N-[3-Cyano-4-(3-{[3-(diethylam...)
Show SMILES CCC(CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O)N(CC)CC
Show InChI InChI=1S/C32H32FN5O4/c1-4-23(38(5-2)6-3)17-30(40)35-22-10-7-9-20(15-22)25-18-27(24-13-12-21(33)16-28(24)39)36-31(26(25)19-34)37-32(41)29-11-8-14-42-29/h7-16,18,23,39H,4-6,17H2,1-3H3,(H,35,40)(H,36,37,41)
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322304
PNG
(CHEMBL1173070 | N-{3-Cyano-4-[3-(1,4-diazepan-1-yl...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C29H26FN5O3/c30-21-7-8-22(26(36)15-21)25-16-23(24(17-31)28(33-25)34-29(37)27-6-2-13-38-27)20-5-1-4-19(14-20)18-35-11-3-9-32-10-12-35/h1-2,4-8,13-16,32,36H,3,9-12,18H2,(H,33,34,37)
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322309
PNG
(CHEMBL1170903 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322293
PNG
(CHEMBL1170911 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES CNCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C26H20FN5O4/c1-29-14-24(34)30-17-5-2-4-15(10-17)19-12-21(18-8-7-16(27)11-22(18)33)31-25(20(19)13-28)32-26(35)23-6-3-9-36-23/h2-12,29,33H,14H2,1H3,(H,30,34)(H,31,32,35)
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322298
PNG
(CHEMBL1171663 | N-[3-Cyano-4-(3-{[2-(dimethylamino...)
Show SMILES CN(C)CCN(C)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H26FN5O3/c1-33(2)11-12-34(3)20-7-4-6-18(14-20)22-16-24(21-10-9-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-8-5-13-37-26/h4-10,13-16,35H,11-12H2,1-3H3,(H,31,32,36)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322296
PNG
(CHEMBL1171104 | N-[3-Cyano-4-{3-[(N,N-diethylglycy...)
Show SMILES CCNC(CC)C(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C29H26FN5O4/c1-3-23(32-4-2)28(37)33-19-8-5-7-17(13-19)21-15-24(20-11-10-18(30)14-25(20)36)34-27(22(21)16-31)35-29(38)26-9-6-12-39-26/h5-15,23,32,36H,3-4H2,1-2H3,(H,33,37)(H,34,35,38)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322310
PNG
(CHEMBL1170904 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r|
Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322308
PNG
(CHEMBL1169902 | N-[3-Cyano-4-{3-[(N,N-dimethyl-bet...)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-26(36)31-19-6-3-5-17(13-19)21-15-23(20-9-8-18(29)14-24(20)35)32-27(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322302
PNG
(CHEMBL1173008 | N-{3-Cyano-4-[3-(4-ethylpiperazin-...)
Show SMILES CCN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C29H26FN5O3/c1-2-34-10-12-35(13-11-34)21-6-3-5-19(15-21)23-17-25(22-9-8-20(30)16-26(22)36)32-28(24(23)18-31)33-29(37)27-7-4-14-38-27/h3-9,14-17,36H,2,10-13H2,1H3,(H,32,33,37)
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)		BDBM50322295
PNG
(CHEMBL1171977 | N-[3-Cyano-4-{3-[(N,N-dimethylglyc...)
Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
Show InChI InChI=1S/C27H22FN5O4/c1-33(2)15-25(35)30-18-6-3-5-16(11-18)20-13-22(19-9-8-17(28)12-23(19)34)31-26(21(20)14-29)32-27(36)24-7-4-10-37-24/h3-13,34H,15H2,1-2H3,(H,30,35)(H,31,32,36)
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n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322315
PNG
(CHEMBL1169893 | N-(3-cyano-4-(3-(2-(dimethylamino)...)
Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
Show InChI InChI=1S/C27H23N5O3S/c1-32(2)16-25(34)29-18-8-5-7-17(13-18)20-14-22(19-9-3-4-10-23(19)33)30-26(21(20)15-28)31-27(35)24-11-6-12-36-24/h3-14,33H,16H2,1-2H3,(H,29,34)(H,30,31,35)
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n/an/a 180n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
KiSS-1 receptor


(Homo sapiens (Human))		BDBM50322299
PNG
(CHEMBL1173643 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...)
Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCNCC2)c(C#N)c(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
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n/an/a 930n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR54 receptor assessed as inhibition of metastin-induced calcium mobilization

Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%