Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375881
(CHEMBL408746)Show SMILES CC(CNCCCCc1ccnnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |w:1.0,THB:26:28:30.31:33.34| Show InChI InChI=1S/C37H47N5O/c1-24-18-25(2)20-28(19-24)35-34(26(3)22-38-16-7-6-8-27-15-17-39-40-23-27)32-21-29(9-14-33(32)41-35)37(4,5)36(43)42-30-10-11-31(42)13-12-30/h9,14-15,17-21,23,26,30-31,38,41H,6-8,10-13,16,22H2,1-5H3 | PDB
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122657
(CHEMBL21126 | N-{4-[5-[(Benzyl-methyl-amino)-methy...)Show SMILES CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H32F2N4O3S/c1-3-32(44)40-26-19-17-25(18-20-26)34-29(22-41(2)21-24-11-6-4-7-12-24)33-35(45)43(27-13-8-5-9-14-27)37(46)42(36(33)47-34)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H,40,44) | PDB
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PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375882
(CHEMBL411526)Show SMILES CNCCNc1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1 Show InChI InChI=1S/C28H37N5O5/c1-16-13-19-20(28(4,5)38-27(19,2)3)15-17(16)14-18-9-10-21(37-18)23(34)31-22-24(35-7)32-26(30-12-11-29-6)33-25(22)36-8/h9-10,13,15,29H,11-12,14H2,1-8H3,(H,31,34)(H,30,32,33) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50140097
(1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phen...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2nccs2)c1=O |wD:26.28,(4.83,2.23,;3.49,1.44,;3.5,-.13,;4.84,-.88,;4.86,-2.42,;3.54,-3.2,;2.2,-2.44,;2.19,-.91,;1.07,.21,;.88,-3.22,;.88,-4.77,;2.23,-5.52,;-.44,-5.54,;-.44,-7.08,;-1.78,-7.86,;-3.1,-7.08,;-4.21,-5.97,;-4.44,-7.86,;-4.44,-9.4,;-3.09,-10.16,;-1.77,-9.38,;-.68,-10.47,;-1.79,-4.78,;-3.12,-5.55,;-1.79,-3.24,;-3.12,-2.47,;-3.12,-.91,;-1.77,-.13,;-4.47,-.13,;-4.47,1.44,;-5.96,1.94,;-7.24,1.06,;-8.47,2,;-7.97,3.47,;-6.41,3.45,;-.47,-2.46,;-.47,-.92,)| Show InChI InChI=1S/C26H25F3N4O3S/c1-15(31-12-22-30-10-11-37-22)13-33-25(34)23(17-6-4-9-21(36-3)24(17)29)16(2)32(26(33)35)14-18-19(27)7-5-8-20(18)28/h4-11,15,31H,12-14H2,1-3H3/t15-/m1/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375883
(CHEMBL260816)Show SMILES COc1ccc(CN2CC3CC(N4C(=O)N(CCN5CCOCC5)C(=O)C34C2)c2ccc(N(C)C)c3ccccc23)cc1NC(C)=O |w:9.9,11.31,26.29| Show InChI InChI=1S/C36H44N6O5/c1-24(43)37-30-19-25(9-12-33(30)46-4)21-40-22-26-20-32(29-10-11-31(38(2)3)28-8-6-5-7-27(28)29)42-35(45)41(34(44)36(26,42)23-40)14-13-39-15-17-47-18-16-39/h5-12,19,26,32H,13-18,20-23H2,1-4H3,(H,37,43) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50128007
(1-(2,6-difluoro-benzyl)-5-(2,3-dihydro-benzo[1,4]d...)Show SMILES CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H30F2N4O4/c1-20-28(21-9-10-26-27(18-21)40-17-16-39-26)29(37)35(15-14-34(2)13-11-22-6-3-4-12-33-22)30(38)36(20)19-23-24(31)7-5-8-25(23)32/h3-10,12,18H,11,13-17,19H2,1-2H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50224310
(5-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN=C(N)N)CC1)C(C)(C)CCC2(C)C |(6.78,4.17,;7.56,2.84,;9.09,2.85,;9.88,1.51,;9.1,.17,;7.57,.17,;6.81,1.51,;5.27,1.5,;4.5,.17,;5.27,-1.17,;4.24,-2.31,;2.83,-1.68,;2.99,-.15,;1.5,-2.45,;1.5,-3.99,;.17,-1.68,;-1.17,-2.45,;-2.5,-1.68,;-3.84,-2.45,;-5.18,-1.68,;-5.18,-.13,;-6.51,.64,;-7.84,-.13,;-9.18,.63,;-10.51,-.14,;-9.18,2.17,;-3.84,.65,;-2.5,-.13,;9.86,-1.16,;8.32,-1.15,;10.63,-2.48,;11.41,-1.17,;12.19,.17,;11.42,1.52,;12.95,1.52,;11.01,3.01,)| Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50109237
(6-[(Benzyl-methyl-amino)-methyl]-1-(2-fluoro-benzy...)Show SMILES CCOC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C36H37FN4O4/c1-5-45-36(44)30-22-40(21-27-13-9-10-14-31(27)37)33-19-29(26-15-17-28(18-16-26)38-34(42)24(2)3)32(41(33)35(30)43)23-39(4)20-25-11-7-6-8-12-25/h6-19,22,24H,5,20-21,23H2,1-4H3,(H,38,42) | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50116237
(6-Benzo[1,3]dioxol-5-yl-3-[(benzyl-methyl-amino)-m...)Show SMILES COc1ccc(cc1)-c1nc2n(Cc3ccccc3F)c(C)c(-c3ccc4OCOc4c3)c(=O)n2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33FN4O4/c1-24-34(27-15-18-32-33(19-27)46-23-45-32)36(43)42-31(22-40(2)20-25-9-5-4-6-10-25)35(26-13-16-29(44-3)17-14-26)39-37(42)41(24)21-28-11-7-8-12-30(28)38/h4-19H,20-23H2,1-3H3 | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375880
(CHEMBL405449)Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2cc(c(CN(C)Cc3ccccc3)cc2c1=O)-c1ccc(NC(=O)CC)cc1 Show InChI InChI=1S/C37H35F2N3O4/c1-4-35(43)40-27-16-14-25(15-17-27)28-19-34-29(18-26(28)21-41(3)20-24-10-7-6-8-11-24)36(44)31(37(45)46-5-2)23-42(34)22-30-32(38)12-9-13-33(30)39/h6-19,23H,4-5,20-22H2,1-3H3,(H,40,43) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375887
(CHEMBL260552)Show SMILES CNC(Cn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O)c1ccccc1 |w:2.1| Show InChI InChI=1S/C32H34F2N4O2/c1-21-12-13-24(22(2)16-21)17-36-15-14-30-26(18-36)31(39)38(20-29(35-3)23-8-5-4-6-9-23)32(40)37(30)19-25-27(33)10-7-11-28(25)34/h4-13,16,29,35H,14-15,17-20H2,1-3H3 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375888
(CHEMBL172192)Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2NCCc4ccccc24)c(=O)n3Cc2c(F)cccc2F)c(C)c1 |w:16.16| Show InChI InChI=1S/C33H34F2N4O2/c1-21-10-11-24(22(2)16-21)17-37-15-13-31-27(18-37)32(40)39(20-30-25-7-4-3-6-23(25)12-14-36-30)33(41)38(31)19-26-28(34)8-5-9-29(26)35/h3-11,16,30,36H,12-15,17-20H2,1-2H3 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375886
(CHEMBL260540)Show SMILES Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCNCC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1 Show InChI InChI=1S/C29H34F2N4O2/c1-19-6-7-22(20(2)14-19)16-33-13-10-27-24(17-33)28(36)35(15-21-8-11-32-12-9-21)29(37)34(27)18-23-25(30)4-3-5-26(23)31/h3-7,14,21,32H,8-13,15-18H2,1-2H3 | PDB
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375889
(CHEMBL260058)Show SMILES CC(C)CN(C)CCn1c(=O)c2CN(Cc3ccc(OC(F)(F)F)cc3)CCc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C29H33F5N4O3/c1-19(2)15-35(3)13-14-37-27(39)23-17-36(16-20-7-9-21(10-8-20)41-29(32,33)34)12-11-26(23)38(28(37)40)18-22-24(30)5-4-6-25(22)31/h4-10,19H,11-18H2,1-3H3 | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375885
(CHEMBL410680)Show SMILES NC(CC1CCCCC1)Cn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O |w:1.0| Show InChI InChI=1S/C30H35ClF2N4O2/c31-22-11-9-21(10-12-22)16-35-14-13-28-25(18-35)29(38)37(17-23(34)15-20-5-2-1-3-6-20)30(39)36(28)19-24-26(32)7-4-8-27(24)33/h4,7-12,20,23H,1-3,5-6,13-19,34H2 | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50375884
(CHEMBL263118)Show SMILES CC(CCN1CCc2c(C1)c(=O)n(CCN1CCCCC1)c(=O)n2Cc1c(F)cccc1F)CC(C)(C)C |w:1.0| Show InChI InChI=1S/C30H44F2N4O2/c1-22(19-30(2,3)4)11-15-34-16-12-27-24(20-34)28(37)35(18-17-33-13-6-5-7-14-33)29(38)36(27)21-23-25(31)9-8-10-26(23)32/h8-10,22H,5-7,11-21H2,1-4H3 | PDB
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| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of GnRH receptor |
Bioorg Med Chem 16: 422-7 (2008)
Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR |
More data for this
Ligand-Target Pair | |
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