Found 83 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
(Rattus norvegicus) | BDBM50225079
(CHEMBL250569 | N-((S)-2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36| Show InChI InChI=1S/C38H46N4O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-39-37(44)41-16-15-27(22-41)26-9-7-6-8-10-26)31-20-32(45-35(31)40-34)38(4,5)36(43)42-29-11-12-30(42)14-13-29/h6-10,17-20,25,27,29-30,40H,11-16,21-22H2,1-5H3,(H,39,44)/t25-,27?,29?,30?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225079
(CHEMBL250569 | N-((S)-2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36| Show InChI InChI=1S/C38H46N4O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-39-37(44)41-16-15-27(22-41)26-9-7-6-8-10-26)31-20-32(45-35(31)40-34)38(4,5)36(43)42-29-11-12-30(42)14-13-29/h6-10,17-20,25,27,29-30,40H,11-16,21-22H2,1-5H3,(H,39,44)/t25-,27?,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225078
(CHEMBL400739 | methyl ((S)-2-(2-(1-(7-aza-bicyclo[...)Show SMILES COC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:4.3,THB:21:23:25.26:28.29| Show InChI InChI=1S/C39H48N6O3S/c1-23-17-24(2)19-28(18-23)34-33(31-20-32(49-35(31)42-34)39(4,5)36(46)45-29-7-8-30(45)10-9-29)25(3)21-41-37(43-38(47)48-6)44-16-13-27(22-44)26-11-14-40-15-12-26/h11-12,14-15,17-20,25,27,29-30,42H,7-10,13,16,21-22H2,1-6H3,(H,41,43,47)/t25-,27?,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225090
(CHEMBL399856 | isopropyl ((S)-2-(2-(1-(7-aza-bicyc...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C41H52N6O3S/c1-24(2)50-40(49)45-39(46-17-14-29(23-46)28-12-15-42-16-13-28)43-22-27(5)35-33-21-34(41(6,7)38(48)47-31-8-9-32(47)11-10-31)51-37(33)44-36(35)30-19-25(3)18-26(4)20-30/h12-13,15-16,18-21,24,27,29,31-32,44H,8-11,14,17,22-23H2,1-7H3,(H,43,45,49)/t27-,29?,31?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225078
(CHEMBL400739 | methyl ((S)-2-(2-(1-(7-aza-bicyclo[...)Show SMILES COC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:4.3,THB:21:23:25.26:28.29| Show InChI InChI=1S/C39H48N6O3S/c1-23-17-24(2)19-28(18-23)34-33(31-20-32(49-35(31)42-34)39(4,5)36(46)45-29-7-8-30(45)10-9-29)25(3)21-41-37(43-38(47)48-6)44-16-13-27(22-44)26-11-14-40-15-12-26/h11-12,14-15,17-20,25,27,29-30,42H,7-10,13,16,21-22H2,1-6H3,(H,41,43,47)/t25-,27?,29?,30?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225104
((S)-isopropyl (2-(2-(1-(7-aza-bicyclo[2.2.1]heptan...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(CC1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C42H54N6O3S/c1-25(2)51-41(50)46-40(47-18-14-30(15-19-47)29-12-16-43-17-13-29)44-24-28(5)36-34-23-35(42(6,7)39(49)48-32-8-9-33(48)11-10-32)52-38(34)45-37(36)31-21-26(3)20-27(4)22-31/h12-13,16-17,20-23,25,28,30,32-33,45H,8-11,14-15,18-19,24H2,1-7H3,(H,44,46,50)/t28-,32?,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225079
(CHEMBL250569 | N-((S)-2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:32.33:35.36| Show InChI InChI=1S/C38H46N4O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-39-37(44)41-16-15-27(22-41)26-9-7-6-8-10-26)31-20-32(45-35(31)40-34)38(4,5)36(43)42-29-11-12-30(42)14-13-29/h6-10,17-20,25,27,29-30,40H,11-16,21-22H2,1-5H3,(H,39,44)/t25-,27?,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225090
(CHEMBL399856 | isopropyl ((S)-2-(2-(1-(7-aza-bicyc...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C41H52N6O3S/c1-24(2)50-40(49)45-39(46-17-14-29(23-46)28-12-15-42-16-13-28)43-22-27(5)35-33-21-34(41(6,7)38(48)47-31-8-9-32(47)11-10-31)51-37(33)44-36(35)30-19-25(3)18-26(4)20-30/h12-13,15-16,18-21,24,27,29,31-32,44H,8-11,14,17,22-23H2,1-7H3,(H,43,45,49)/t27-,29?,31?,32?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225092
((S)-N-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2...)Show SMILES C[C@H](CNC(=O)N1CCC(CC1)c1ccncc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H47N5O2S/c1-23-18-24(2)20-28(19-23)34-33(25(3)22-40-37(45)42-16-12-27(13-17-42)26-10-14-39-15-11-26)31-21-32(46-35(31)41-34)38(4,5)36(44)43-29-6-7-30(43)9-8-29/h10-11,14-15,18-21,25,27,29-30,41H,6-9,12-13,16-17,22H2,1-5H3,(H,40,45)/t25-,29?,30?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225104
((S)-isopropyl (2-(2-(1-(7-aza-bicyclo[2.2.1]heptan...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(CC1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C42H54N6O3S/c1-25(2)51-41(50)46-40(47-18-14-30(15-19-47)29-12-16-43-17-13-29)44-24-28(5)36-34-23-35(42(6,7)39(49)48-32-8-9-33(48)11-10-32)52-38(34)45-37(36)31-21-26(3)20-27(4)22-31/h12-13,16-17,20-23,25,28,30,32-33,45H,8-11,14-15,18-19,24H2,1-7H3,(H,44,46,50)/t28-,32?,33?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225092
((S)-N-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2...)Show SMILES C[C@H](CNC(=O)N1CCC(CC1)c1ccncc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H47N5O2S/c1-23-18-24(2)20-28(19-23)34-33(25(3)22-40-37(45)42-16-12-27(13-17-42)26-10-14-39-15-11-26)31-21-32(46-35(31)41-34)38(4,5)36(44)43-29-6-7-30(43)9-8-29/h10-11,14-15,18-21,25,27,29-30,41H,6-9,12-13,16-17,22H2,1-5H3,(H,40,45)/t25-,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225091
(7-(3-(5-(3,5-dimethylphenyl)-4-(2-(4-(4-ethylhexyl...)Show SMILES CCN(CC)CCOC1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:25:27:29.30:32.33| Show InChI InChI=1S/C37H54N4O2S/c1-7-39(8-2)19-20-43-30-13-16-40(17-14-30)18-15-31-32-24-33(37(5,6)36(42)41-28-9-10-29(41)12-11-28)44-35(32)38-34(31)27-22-25(3)21-26(4)23-27/h21-24,28-30,38H,7-20H2,1-6H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225088
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCCC(O)C1)C(C)(C)C(=O)N1C2CCC1CC2 |w:30.34,THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-17-39-15-11-25(12-16-39)35(43)40-14-5-6-29(42)22-40)31-21-32(45-34(31)38-33)37(3,4)36(44)41-27-7-8-28(41)10-9-27/h18-21,25,27-29,38,42H,5-17,22H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225091
(7-(3-(5-(3,5-dimethylphenyl)-4-(2-(4-(4-ethylhexyl...)Show SMILES CCN(CC)CCOC1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:25:27:29.30:32.33| Show InChI InChI=1S/C37H54N4O2S/c1-7-39(8-2)19-20-43-30-13-16-40(17-14-30)18-15-31-32-24-33(37(5,6)36(42)41-28-9-10-29(41)12-11-28)44-35(32)38-34(31)27-22-25(3)21-26(4)23-27/h21-24,28-30,38H,7-20H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225078
(CHEMBL400739 | methyl ((S)-2-(2-(1-(7-aza-bicyclo[...)Show SMILES COC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:4.3,THB:21:23:25.26:28.29| Show InChI InChI=1S/C39H48N6O3S/c1-23-17-24(2)19-28(18-23)34-33(31-20-32(49-35(31)42-34)39(4,5)36(46)45-29-7-8-30(45)10-9-29)25(3)21-41-37(43-38(47)48-6)44-16-13-27(22-44)26-11-14-40-15-12-26/h11-12,14-15,17-20,25,27,29-30,42H,7-10,13,16,21-22H2,1-6H3,(H,41,43,47)/t25-,27?,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225091
(7-(3-(5-(3,5-dimethylphenyl)-4-(2-(4-(4-ethylhexyl...)Show SMILES CCN(CC)CCOC1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:25:27:29.30:32.33| Show InChI InChI=1S/C37H54N4O2S/c1-7-39(8-2)19-20-43-30-13-16-40(17-14-30)18-15-31-32-24-33(37(5,6)36(42)41-28-9-10-29(41)12-11-28)44-35(32)38-34(31)27-22-25(3)21-26(4)23-27/h21-24,28-30,38H,7-20H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225096
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES CC1CN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CCC1C(=O)N1CCOCC1 |w:36.42,1.0,THB:17:19:21.22:24.25| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(11-13-39-12-10-29(25(3)22-39)35(42)40-14-16-44-17-15-40)31-21-32(45-34(31)38-33)37(4,5)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225094
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-24-19-25(2)21-27(20-24)34-30(11-14-39-12-9-26(10-13-39)22-33(42)40-15-17-44-18-16-40)31-23-32(45-35(31)38-34)37(3,4)36(43)41-28-5-6-29(41)8-7-28/h19-21,23,26,28-29,38H,5-18,22H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225095
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41| Show InChI InChI=1S/C35H48N4O2S/c1-23-19-24(2)21-25(20-23)32-29(11-14-37-12-9-26(10-13-37)38-15-17-41-18-16-38)30-22-31(42-33(30)36-32)35(3,4)34(40)39-27-5-6-28(39)8-7-27/h19-22,26-28,36H,5-18H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225081
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |w:23.26,THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225090
(CHEMBL399856 | isopropyl ((S)-2-(2-(1-(7-aza-bicyc...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C41H52N6O3S/c1-24(2)50-40(49)45-39(46-17-14-29(23-46)28-12-15-42-16-13-28)43-22-27(5)35-33-21-34(41(6,7)38(48)47-31-8-9-32(47)11-10-31)51-37(33)44-36(35)30-19-25(3)18-26(4)20-30/h12-13,15-16,18-21,24,27,29,31-32,44H,8-11,14,17,22-23H2,1-7H3,(H,43,45,49)/t27-,29?,31?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225092
((S)-N-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2...)Show SMILES C[C@H](CNC(=O)N1CCC(CC1)c1ccncc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H47N5O2S/c1-23-18-24(2)20-28(19-23)34-33(25(3)22-40-37(45)42-16-12-27(13-17-42)26-10-14-39-15-11-26)31-21-32(46-35(31)41-34)38(4,5)36(44)43-29-6-7-30(43)9-8-29/h10-11,14-15,18-21,25,27,29-30,41H,6-9,12-13,16-17,22H2,1-5H3,(H,40,45)/t25-,29?,30?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225099
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(C1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:2.1,THB:26:28:30.31:33.34| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-16-39-14-10-25(11-15-39)35(42)40-17-12-29(22-40)44-5)31-21-32(45-34(31)38-33)37(3,4)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225086
(CHEMBL400390 | N-((S)-2-(5-(3,5-dimethylphenyl)-2-...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1CCCC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H44N4O2S/c1-23-17-24(2)19-28(18-23)32-31(25(3)21-37-35(42)40-16-13-27(22-40)26-11-7-6-8-12-26)29-20-30(43-33(29)38-32)36(4,5)34(41)39-14-9-10-15-39/h6-8,11-12,17-20,25,27,38H,9-10,13-16,21-22H2,1-5H3,(H,37,42)/t25-,27?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225087
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H48N4O3S/c1-23-19-24(2)21-26(20-23)32-29(11-14-38-12-9-25(10-13-38)34(41)39-15-17-43-18-16-39)30-22-31(44-33(30)37-32)36(3,4)35(42)40-27-5-6-28(40)8-7-27/h19-22,25,27-28,37H,5-18H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225101
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H49N5O2S/c1-24-19-25(2)21-26(20-24)33-29(11-14-38-15-17-39(18-16-38)23-32(42)40-12-5-6-13-40)30-22-31(44-34(30)37-33)36(3,4)35(43)41-27-7-8-28(41)10-9-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225081
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |w:23.26,THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225093
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(CC1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:27:29:31.32:34.35| Show InChI InChI=1S/C38H52N4O3S/c1-24-20-25(2)22-27(21-24)34-31(14-17-40-15-10-26(11-16-40)36(43)41-18-12-30(45-5)13-19-41)32-23-33(46-35(32)39-34)38(3,4)37(44)42-28-6-7-29(42)9-8-28/h20-23,26,28-30,39H,6-19H2,1-5H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225104
((S)-isopropyl (2-(2-(1-(7-aza-bicyclo[2.2.1]heptan...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(CC1)c1ccncc1 |w:6.5,THB:23:25:27.28:30.31| Show InChI InChI=1S/C42H54N6O3S/c1-25(2)51-41(50)46-40(47-18-14-30(15-19-47)29-12-16-43-17-13-29)44-24-28(5)36-34-23-35(42(6,7)39(49)48-32-8-9-33(48)11-10-32)52-38(34)45-37(36)31-21-26(3)20-27(4)22-31/h12-13,16-17,20-23,25,28,30,32-33,45H,8-11,14-15,18-19,24H2,1-7H3,(H,44,46,50)/t28-,32?,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225096
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES CC1CN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CCC1C(=O)N1CCOCC1 |w:36.42,1.0,THB:17:19:21.22:24.25| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(11-13-39-12-10-29(25(3)22-39)35(42)40-14-16-44-17-15-40)31-21-32(45-34(31)38-33)37(4,5)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225101
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H49N5O2S/c1-24-19-25(2)21-26(20-24)33-29(11-14-38-15-17-39(18-16-38)23-32(42)40-12-5-6-13-40)30-22-31(44-34(30)37-33)36(3,4)35(43)41-27-7-8-28(41)10-9-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225089
(CHEMBL249771 | N-((1-(2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CNC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H51N5O3S/c1-24-19-25(2)21-27(20-24)33-30(11-14-40-12-9-26(10-13-40)23-38-36(44)41-15-17-45-18-16-41)31-22-32(46-34(31)39-33)37(3,4)35(43)42-28-5-6-29(42)8-7-28/h19-22,26,28-29,39H,5-18,23H2,1-4H3,(H,38,44) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225086
(CHEMBL400390 | N-((S)-2-(5-(3,5-dimethylphenyl)-2-...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1CCCC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H44N4O2S/c1-23-17-24(2)19-28(18-23)32-31(25(3)21-37-35(42)40-16-13-27(22-40)26-11-7-6-8-12-26)29-20-30(43-33(29)38-32)36(4,5)34(41)39-14-9-10-15-39/h6-8,11-12,17-20,25,27,38H,9-10,13-16,21-22H2,1-5H3,(H,37,42)/t25-,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225103
(CHEMBL249372 | isopropyl ((S)-2-(2-(1-(dimethylami...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N(C)C)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5| Show InChI InChI=1S/C37H48N6O3S/c1-22(2)46-36(45)41-35(43-15-12-27(21-43)26-10-13-38-14-11-26)39-20-25(5)31-29-19-30(37(6,7)34(44)42(8)9)47-33(29)40-32(31)28-17-23(3)16-24(4)18-28/h10-11,13-14,16-19,22,25,27,40H,12,15,20-21H2,1-9H3,(H,39,41,45)/t25-,27?/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50225098
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H49N5O3S/c1-24-19-25(2)21-26(20-24)33-29(9-10-38-11-13-39(14-12-38)23-32(42)40-15-17-44-18-16-40)30-22-31(45-34(30)37-33)36(3,4)35(43)41-27-5-6-28(41)8-7-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225100
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H47N5O3S/c1-23-17-24(2)19-25(18-23)33-32(29(42)21-38-13-15-39(16-14-38)22-31(43)40-11-5-6-12-40)28-20-30(45-34(28)37-33)36(3,4)35(44)41-26-7-8-27(41)10-9-26/h17-20,26-27,37H,5-16,21-22H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225083
(CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...)Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225102
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H46N4O4S/c1-22-17-23(2)19-25(18-22)32-31(29(41)21-38-11-9-24(10-12-38)34(42)39-13-15-44-16-14-39)28-20-30(45-33(28)37-32)36(3,4)35(43)40-26-5-6-27(40)8-7-26/h17-20,24,26-27,37H,5-16,21H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225098
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H49N5O3S/c1-24-19-25(2)21-26(20-24)33-29(9-10-38-11-13-39(14-12-38)23-32(42)40-15-17-44-18-16-40)30-22-31(45-34(30)37-33)36(3,4)35(43)41-27-5-6-28(41)8-7-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225094
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-24-19-25(2)21-27(20-24)34-30(11-14-39-12-9-26(10-13-39)22-33(42)40-15-17-44-18-16-40)31-23-32(45-35(31)38-34)37(3,4)36(43)41-28-5-6-29(41)8-7-28/h19-21,23,26,28-29,38H,5-18,22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225097
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)OCC(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H50N4O4S/c1-24-19-25(2)21-26(20-24)34-30(11-14-39-12-9-29(10-13-39)45-23-33(42)40-15-17-44-18-16-40)31-22-32(46-35(31)38-34)37(3,4)36(43)41-27-5-6-28(41)8-7-27/h19-22,27-29,38H,5-18,23H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225082
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42| Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225097
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)OCC(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H50N4O4S/c1-24-19-25(2)21-26(20-24)34-30(11-14-39-12-9-29(10-13-39)45-23-33(42)40-15-17-44-18-16-40)31-22-32(46-35(31)38-34)37(3,4)36(43)41-27-5-6-28(41)8-7-27/h19-22,27-29,38H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225094
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-24-19-25(2)21-27(20-24)34-30(11-14-39-12-9-26(10-13-39)22-33(42)40-15-17-44-18-16-40)31-23-32(45-35(31)38-34)37(3,4)36(43)41-28-5-6-29(41)8-7-28/h19-21,23,26,28-29,38H,5-18,22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225084
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(4-(2-(4-(3-...)Show SMILES CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1 |w:8.8,THB:28:30:32.33:35.36| Show InChI InChI=1S/C39H56N6O3S/c1-26-20-27(2)22-29(21-26)36-33(34-23-35(49-37(34)40-36)39(4,5)38(48)45-30-6-7-31(45)9-8-30)10-11-41-12-14-42(15-13-41)24-32(47)25-43-16-18-44(19-17-43)28(3)46/h20-23,30-32,40,47H,6-19,24-25H2,1-5H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225082
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42| Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225098
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H49N5O3S/c1-24-19-25(2)21-26(20-24)33-29(9-10-38-11-13-39(14-12-38)23-32(42)40-15-17-44-18-16-40)30-22-31(45-34(30)37-33)36(3,4)35(43)41-27-5-6-28(41)8-7-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225088
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCCC(O)C1)C(C)(C)C(=O)N1C2CCC1CC2 |w:30.34,THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-17-39-15-11-25(12-16-39)35(43)40-14-5-6-29(42)22-40)31-21-32(45-34(31)38-33)37(3,4)36(44)41-27-7-8-28(41)10-9-27/h18-21,25,27-29,38,42H,5-17,22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225100
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H47N5O3S/c1-23-17-24(2)19-25(18-23)33-32(29(42)21-38-13-15-39(16-14-38)22-31(43)40-11-5-6-12-40)28-20-30(45-34(28)37-33)36(3,4)35(44)41-26-7-8-27(41)10-9-26/h17-20,26-27,37H,5-16,21-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225081
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |w:23.26,THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225085
(2-(4-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-...)Show SMILES CN(C)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:23:25:27.28:30.31| Show InChI InChI=1S/C34H47N5O2S/c1-22-17-23(2)19-24(18-22)31-27(11-12-37-13-15-38(16-14-37)21-30(40)36(5)6)28-20-29(42-32(28)35-31)34(3,4)33(41)39-25-7-8-26(39)10-9-25/h17-20,25-26,35H,7-16,21H2,1-6H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225099
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(C1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:2.1,THB:26:28:30.31:33.34| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-16-39-14-10-25(11-15-39)35(42)40-17-12-29(22-40)44-5)31-21-32(45-34(31)38-33)37(3,4)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225085
(2-(4-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-...)Show SMILES CN(C)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:23:25:27.28:30.31| Show InChI InChI=1S/C34H47N5O2S/c1-22-17-23(2)19-24(18-22)31-27(11-12-37-13-15-38(16-14-37)21-30(40)36(5)6)28-20-29(42-32(28)35-31)34(3,4)33(41)39-25-7-8-26(39)10-9-25/h17-20,25-26,35H,7-16,21H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225095
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41| Show InChI InChI=1S/C35H48N4O2S/c1-23-19-24(2)21-25(20-23)32-29(11-14-37-12-9-26(10-13-37)38-15-17-41-18-16-38)30-22-31(42-33(30)36-32)35(3,4)34(40)39-27-5-6-28(39)8-7-27/h19-22,26-28,36H,5-18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225093
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(CC1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:27:29:31.32:34.35| Show InChI InChI=1S/C38H52N4O3S/c1-24-20-25(2)22-27(21-24)34-31(14-17-40-15-10-26(11-16-40)36(43)41-18-12-30(45-5)13-19-41)32-23-33(46-35(32)39-34)38(3,4)37(44)42-28-6-7-29(42)9-8-28/h20-23,26,28-30,39H,6-19H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225098
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H49N5O3S/c1-24-19-25(2)21-26(20-24)33-29(9-10-38-11-13-39(14-12-38)23-32(42)40-15-17-44-18-16-40)30-22-31(45-34(30)37-33)36(3,4)35(43)41-27-5-6-28(41)8-7-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225095
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:33:35:37.38:40.41| Show InChI InChI=1S/C35H48N4O2S/c1-23-19-24(2)21-25(20-23)32-29(11-14-37-12-9-26(10-13-37)38-15-17-41-18-16-38)30-22-31(42-33(30)36-32)35(3,4)34(40)39-27-5-6-28(39)8-7-27/h19-22,26-28,36H,5-18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225101
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H49N5O2S/c1-24-19-25(2)21-26(20-24)33-29(11-14-38-15-17-39(18-16-38)23-32(42)40-12-5-6-13-40)30-22-31(44-34(30)37-33)36(3,4)35(43)41-27-7-8-28(41)10-9-27/h19-22,27-28,37H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225100
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H47N5O3S/c1-23-17-24(2)19-25(18-23)33-32(29(42)21-38-13-15-39(16-14-38)22-31(43)40-11-5-6-12-40)28-20-30(45-34(28)37-33)36(3,4)35(44)41-26-7-8-27(41)10-9-26/h17-20,26-27,37H,5-16,21-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225085
(2-(4-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-...)Show SMILES CN(C)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:23:25:27.28:30.31| Show InChI InChI=1S/C34H47N5O2S/c1-22-17-23(2)19-24(18-22)31-27(11-12-37-13-15-38(16-14-37)21-30(40)36(5)6)28-20-29(42-32(28)35-31)34(3,4)33(41)39-25-7-8-26(39)10-9-25/h17-20,25-26,35H,7-16,21H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225099
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(C1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:2.1,THB:26:28:30.31:33.34| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-16-39-14-10-25(11-15-39)35(42)40-17-12-29(22-40)44-5)31-21-32(45-34(31)38-33)37(3,4)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225088
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCCC(O)C1)C(C)(C)C(=O)N1C2CCC1CC2 |w:30.34,THB:36:38:40.41:43.44| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-17-39-15-11-25(12-16-39)35(43)40-14-5-6-29(42)22-40)31-21-32(45-34(31)38-33)37(3,4)36(44)41-27-7-8-28(41)10-9-27/h18-21,25,27-29,38,42H,5-17,22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225093
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES COC1CCN(CC1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |THB:27:29:31.32:34.35| Show InChI InChI=1S/C38H52N4O3S/c1-24-20-25(2)22-27(21-24)34-31(14-17-40-15-10-26(11-16-40)36(43)41-18-12-30(45-5)13-19-41)32-23-33(46-35(32)39-34)38(3,4)37(44)42-28-6-7-29(42)9-8-28/h20-23,26,28-30,39H,6-19H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225096
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES CC1CN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CCC1C(=O)N1CCOCC1 |w:36.42,1.0,THB:17:19:21.22:24.25| Show InChI InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(11-13-39-12-10-29(25(3)22-39)35(42)40-14-16-44-17-15-40)31-21-32(45-34(31)38-33)37(4,5)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225087
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H48N4O3S/c1-23-19-24(2)21-26(20-23)32-29(11-14-38-12-9-25(10-13-38)34(41)39-15-17-43-18-16-39)30-22-31(44-33(30)37-32)36(3,4)35(42)40-27-5-6-28(40)8-7-27/h19-22,25,27-28,37H,5-18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225102
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H46N4O4S/c1-22-17-23(2)19-25(18-22)32-31(29(41)21-38-11-9-24(10-12-38)34(42)39-13-15-44-16-14-39)28-20-30(45-33(28)37-32)36(3,4)35(43)40-26-5-6-27(40)8-7-26/h17-20,24,26-27,37H,5-16,21H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225103
(CHEMBL249372 | isopropyl ((S)-2-(2-(1-(dimethylami...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N(C)C)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5| Show InChI InChI=1S/C37H48N6O3S/c1-22(2)46-36(45)41-35(43-15-12-27(21-43)26-10-13-38-14-11-26)39-20-25(5)31-29-19-30(37(6,7)34(44)42(8)9)47-33(29)40-32(31)28-17-23(3)16-24(4)18-28/h10-11,13-14,16-19,22,25,27,40H,12,15,20-21H2,1-9H3,(H,39,41,45)/t25-,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225089
(CHEMBL249771 | N-((1-(2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CNC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H51N5O3S/c1-24-19-25(2)21-27(20-24)33-30(11-14-40-12-9-26(10-13-40)23-38-36(44)41-15-17-45-18-16-41)31-22-32(46-34(31)39-33)37(3,4)35(43)42-28-5-6-29(42)8-7-28/h19-22,26,28-29,39H,5-18,23H2,1-4H3,(H,38,44) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225084
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(4-(2-(4-(3-...)Show SMILES CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1 |w:8.8,THB:28:30:32.33:35.36| Show InChI InChI=1S/C39H56N6O3S/c1-26-20-27(2)22-29(21-26)36-33(34-23-35(49-37(34)40-36)39(4,5)38(48)45-30-6-7-31(45)9-8-30)10-11-41-12-14-42(15-13-41)24-32(47)25-43-16-18-44(19-17-43)28(3)46/h20-23,30-32,40,47H,6-19,24-25H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225084
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(4-(2-(4-(3-...)Show SMILES CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1 |w:8.8,THB:28:30:32.33:35.36| Show InChI InChI=1S/C39H56N6O3S/c1-26-20-27(2)22-29(21-26)36-33(34-23-35(49-37(34)40-36)39(4,5)38(48)45-30-6-7-31(45)9-8-30)10-11-41-12-14-42(15-13-41)24-32(47)25-43-16-18-44(19-17-43)28(3)46/h20-23,30-32,40,47H,6-19,24-25H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225097
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)OCC(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H50N4O4S/c1-24-19-25(2)21-26(20-24)34-30(11-14-39-12-9-29(10-13-39)45-23-33(42)40-15-17-44-18-16-40)31-22-32(46-35(31)38-34)37(3,4)36(43)41-27-5-6-28(41)8-7-27/h19-22,27-29,38H,5-18,23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 338 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225083
(CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...)Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225102
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1C(=O)CN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44| Show InChI InChI=1S/C36H46N4O4S/c1-22-17-23(2)19-25(18-22)32-31(29(41)21-38-11-9-24(10-12-38)34(42)39-13-15-44-16-14-39)28-20-30(45-33(28)37-32)36(3,4)35(43)40-26-5-6-27(40)8-7-26/h17-20,24,26-27,37H,5-16,21H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 371 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225087
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:35:37:39.40:42.43| Show InChI InChI=1S/C36H48N4O3S/c1-23-19-24(2)21-26(20-23)32-29(11-14-38-12-9-25(10-13-38)34(41)39-15-17-43-18-16-39)30-22-31(44-33(30)37-32)36(3,4)35(42)40-27-5-6-28(40)8-7-27/h19-22,25,27-28,37H,5-18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 381 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225086
(CHEMBL400390 | N-((S)-2-(5-(3,5-dimethylphenyl)-2-...)Show SMILES C[C@H](CNC(=O)N1CCC(C1)c1ccccc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1CCCC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H44N4O2S/c1-23-17-24(2)19-28(18-23)32-31(25(3)21-37-35(42)40-16-13-27(22-40)26-11-7-6-8-12-26)29-20-30(43-33(29)38-32)36(4,5)34(41)39-14-9-10-15-39/h6-8,11-12,17-20,25,27,38H,9-10,13-16,21-22H2,1-5H3,(H,37,42)/t25-,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 445 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225103
(CHEMBL249372 | isopropyl ((S)-2-(2-(1-(dimethylami...)Show SMILES CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N(C)C)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1 |w:6.5| Show InChI InChI=1S/C37H48N6O3S/c1-22(2)46-36(45)41-35(43-15-12-27(21-43)26-10-13-38-14-11-26)39-20-25(5)31-29-19-30(37(6,7)34(44)42(8)9)47-33(29)40-32(31)28-17-23(3)16-24(4)18-28/h10-11,13-14,16-19,22,25,27,40H,12,15,20-21H2,1-9H3,(H,39,41,45)/t25-,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 452 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225082
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42| Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50225080
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC1)C(=O)N1CCCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42| Show InChI InChI=1S/C35H47N5O2S/c1-23-19-24(2)21-25(20-23)31-28(11-14-37-15-17-39(18-16-37)34(42)38-12-5-6-13-38)29-22-30(43-32(29)36-31)35(3,4)33(41)40-26-7-8-27(40)10-9-26/h19-22,26-27,36H,5-18H2,1-4H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 529 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225080
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC1)C(=O)N1CCCC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42| Show InChI InChI=1S/C35H47N5O2S/c1-23-19-24(2)21-25(20-23)31-28(11-14-37-15-17-39(18-16-37)34(42)38-12-5-6-13-38)29-22-30(43-32(29)36-31)35(3,4)33(41)40-26-7-8-27(40)10-9-26/h19-22,26-27,36H,5-18H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 696 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225089
(CHEMBL249771 | N-((1-(2-(2-(1-(7-aza-bicyclo[2.2.1...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CNC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H51N5O3S/c1-24-19-25(2)21-27(20-24)33-30(11-14-40-12-9-26(10-13-40)23-38-36(44)41-15-17-45-18-16-41)31-22-32(46-34(31)39-33)37(3,4)35(43)42-28-5-6-29(42)8-7-28/h19-22,26,28-29,39H,5-18,23H2,1-4H3,(H,38,44) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 743 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50225083
(CHEMBL401351 | N-(1-(2-(4-(2-(2-(1-(7-aza-bicyclo[...)Show SMILES CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1 |w:4.3,THB:29:31:33.34:36.37| Show InChI InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 947 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after... |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50225084
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(4-(2-(4-(3-...)Show SMILES CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1 |w:8.8,THB:28:30:32.33:35.36| Show InChI InChI=1S/C39H56N6O3S/c1-26-20-27(2)22-29(21-26)36-33(34-23-35(49-37(34)40-36)39(4,5)38(48)45-30-6-7-31(45)9-8-30)10-11-41-12-14-42(15-13-41)24-32(47)25-43-16-18-44(19-17-43)28(3)46/h20-23,30-32,40,47H,6-19,24-25H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50225081
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |w:23.26,THB:37:39:41.42:44.45| Show InChI InChI=1S/C37H54N6O2S/c1-25-19-26(2)21-27(20-25)34-31(9-12-40-15-17-42(18-16-40)24-30(44)23-41-13-10-38-11-14-41)32-22-33(46-35(32)39-34)37(3,4)36(45)43-28-5-6-29(43)8-7-28/h19-22,28-30,38-39,44H,5-18,23-24H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 17: 6448-54 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF |
More data for this
Ligand-Target Pair | |
Search and Browse
