Found 1663 hits with Last Name = 'struthers' and Initial = 'rs' 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) | BDBM50085734
(CHEMBL407628 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C62H87ClN20O14/c1-5-38(73-33(4)84)53(89)79-43(24-34-12-14-36(63)15-13-34)57(93)80-44(25-35-9-6-19-67-28-35)58(94)81-46-27-50(86)71-30-47(51(64)87)82-60(96)48-11-8-22-83(48)61(97)41-18-21-69-52(88)45(26-37-29-68-31-72-37)74-49(85)17-16-40(76-59(46)95)55(91)75-39(10-7-20-70-62(65)66)54(90)78-42(23-32(2)3)56(92)77-41/h6,9,12-15,19,28-29,31-32,38-48H,5,7-8,10-11,16-18,20-27,30H2,1-4H3,(H2,64,87)(H,68,72)(H,69,88)(H,71,86)(H,73,84)(H,74,85)(H,75,91)(H,76,95)(H,77,92)(H,78,90)(H,79,89)(H,80,93)(H,81,94)(H,82,96)(H4,65,66,70)/t38-,39-,40-,41?,42+,43-,44-,45+,46-,47?,48-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085807
(CHEMBL425966 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCC(=O)NCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O Show InChI InChI=1S/C67H87FN18O14/c1-36(2)27-47-60(94)80-46-22-25-73-56(90)35-76-54(88)21-20-45(59(93)78-44(58(92)81-47)12-7-24-74-67(70)71)79-64(98)51(32-55(89)75-34-52(57(69)91)85-65(99)53-13-8-26-86(53)66(46)100)84-63(97)50(31-40-9-6-23-72-33-40)83-62(96)49(29-38-15-18-43(68)19-16-38)82-61(95)48(77-37(3)87)30-39-14-17-41-10-4-5-11-42(41)28-39/h4-6,9-11,14-19,23,28,33,36,44-53H,7-8,12-13,20-22,24-27,29-32,34-35H2,1-3H3,(H2,69,91)(H,73,90)(H,75,89)(H,76,88)(H,77,87)(H,78,93)(H,79,98)(H,80,94)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H4,70,71,74)/t44-,45-,46+,47-,48+,49-,50+,51-,52?,53-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085777
(CHEMBL386166 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3cccnc3)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C66H85ClN18O14/c1-35(2)25-45-58(92)78-44(12-7-22-73-66(69)70)65(99)85-24-8-13-52(85)64(98)84-51(56(68)90)33-74-53(87)31-50-63(97)77-43(57(91)80-47(60(94)79-45)28-38-14-17-40-10-4-5-11-41(40)26-38)20-23-72-55(89)34-75-54(88)30-49(76-36(3)86)62(96)81-46(27-37-15-18-42(67)19-16-37)59(93)82-48(61(95)83-50)29-39-9-6-21-71-32-39/h4-6,9-11,14-19,21,26,32,35,43-52H,7-8,12-13,20,22-25,27-31,33-34H2,1-3H3,(H2,68,90)(H,72,89)(H,74,87)(H,75,88)(H,76,86)(H,77,97)(H,78,92)(H,79,94)(H,80,91)(H,81,96)(H,82,93)(H,83,95)(H,84,98)(H4,69,70,73)/t43-,44+,45-,46+,47-,48-,49-,50-,51-,52-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50085814
(CHEMBL405548 | dicyclo(4-10/5,5-8)[Ac-D2Nal-DCpa-D...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCC(=O)NCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O Show InChI InChI=1S/C67H87ClN18O14/c1-36(2)27-47-60(94)80-46-22-25-73-56(90)35-76-54(88)21-20-45(59(93)78-44(58(92)81-47)12-7-24-74-67(70)71)79-64(98)51(32-55(89)75-34-52(57(69)91)85-65(99)53-13-8-26-86(53)66(46)100)84-63(97)50(31-40-9-6-23-72-33-40)83-62(96)49(29-38-15-18-43(68)19-16-38)82-61(95)48(77-37(3)87)30-39-14-17-41-10-4-5-11-42(41)28-39/h4-6,9-11,14-19,23,28,33,36,44-53H,7-8,12-13,20-22,24-27,29-32,34-35H2,1-3H3,(H2,69,91)(H,73,90)(H,75,89)(H,76,88)(H,77,87)(H,78,93)(H,79,98)(H,80,94)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H4,70,71,74)/t44-,45+,46-,47+,48-,49-,50-,51+,52+,53+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor |
J Med Chem 43: 819-28 (2000)
BindingDB Entry DOI: 10.7270/Q24X570Z |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085756
(CHEMBL439532 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)29-49(61(94)79-48(14-9-27-74-68(71)72)67(100)85-28-10-15-55(85)66(99)76-38(3)58(70)91)80-63(96)52(33-42-16-21-43-11-5-6-12-44(43)30-42)82-62(95)51(32-41-19-24-46(88)25-20-41)83-65(98)54(36-86)84-60(93)47-13-7-8-26-73-59(92)50(31-40-17-22-45(69)23-18-40)81-64(97)53(77-39(4)87)34-56(89)75-35-57(90)78-47/h5-6,11-12,16-25,30,37-38,47-55,86,88H,7-10,13-15,26-29,31-36H2,1-4H3,(H2,70,91)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,90)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,74)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085791
(CHEMBL265240 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CCNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C70H89ClN18O14/c1-37(2)28-49-62(96)82-48(14-8-24-77-70(73)74)69(103)89-27-9-15-56(89)68(102)88-55(60(72)94)36-79-59(93)34-54-67(101)81-47(61(95)84-51(64(98)83-49)31-40-16-19-41-10-4-5-11-42(41)29-40)22-25-75-57(91)23-26-76-58(92)33-53(80-38(3)90)66(100)85-50(30-39-17-20-44(71)21-18-39)63(97)86-52(65(99)87-54)32-43-35-78-46-13-7-6-12-45(43)46/h4-7,10-13,16-21,29,35,37,47-56,78H,8-9,14-15,22-28,30-34,36H2,1-3H3,(H2,72,94)(H,75,91)(H,76,92)(H,79,93)(H,80,90)(H,81,101)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,97)(H,87,99)(H,88,102)(H4,73,74,77)/t47-,48+,49-,50+,51-,52-,53-,54-,55-,56-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085715
(CHEMBL266300 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C58H83ClN18O14/c1-5-35(68-31(4)78)49(83)73-40(24-32-12-14-34(59)15-13-32)53(87)74-41(25-33-9-6-19-63-27-33)54(88)75-42-26-46(80)66-28-43(48(60)82)76-56(90)44-11-8-22-77(44)57(91)38-18-21-64-47(81)29-67-45(79)17-16-37(70-55(42)89)51(85)69-36(10-7-20-65-58(61)62)50(84)72-39(23-30(2)3)52(86)71-38/h6,9,12-15,19,27,30,35-44H,5,7-8,10-11,16-18,20-26,28-29H2,1-4H3,(H2,60,82)(H,64,81)(H,66,80)(H,67,79)(H,68,78)(H,69,85)(H,70,89)(H,71,86)(H,72,84)(H,73,83)(H,74,87)(H,75,88)(H,76,90)(H4,61,62,65)/t35-,36-,37-,38?,39+,40-,41-,42-,43?,44-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085742
(CHEMBL414350 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)30-49(61(94)79-48(13-8-27-75-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)80-63(96)52(34-42-15-20-43-10-5-6-11-44(43)31-42)82-62(95)51(33-41-18-23-46(88)24-19-41)83-65(98)54(36-86)84-60(93)47-12-7-26-74-59(92)50(32-40-16-21-45(69)22-17-40)81-64(97)53(77-39(4)87)35-57(90)73-28-25-56(89)78-47/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,90)(H,74,92)(H,76,99)(H,77,87)(H,78,89)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,75)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085761
(CHEMBL437038 | cyclo(1,1'-3)Ac-D-Asp (Gaba)-D-Cpa-...)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-47(59(92)78-46(12-7-26-73-67(70)71)66(99)84-27-9-13-54(84)65(98)75-37(3)57(69)90)79-61(94)50(32-41-15-20-42-10-5-6-11-43(42)29-41)81-60(93)49(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-63(96)52-34-74-58(91)48(30-39-16-21-44(68)22-17-39)80-62(95)51(76-38(4)86)33-56(89)72-25-8-14-55(88)77-52/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,89)(H,74,91)(H,75,98)(H,76,86)(H,77,88)(H,78,92)(H,79,94)(H,80,95)(H,81,93)(H,82,97)(H,83,96)(H4,70,71,73)/t37?,46-,47+,48+,49-,50?,51?,52+,53-,54+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085719
(CHEMBL438543 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CN(C)C(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C59H85ClN18O14/c1-6-36(68-32(4)79)50(84)73-41(25-33-13-15-35(60)16-14-33)54(88)74-42(26-34-10-7-20-64-28-34)55(89)75-43-27-46(80)67-29-44(49(61)83)76-57(91)45-12-9-23-78(45)58(92)39-19-22-65-47(81)30-77(5)48(82)18-17-38(70-56(43)90)52(86)69-37(11-8-21-66-59(62)63)51(85)72-40(24-31(2)3)53(87)71-39/h7,10,13-16,20,28,31,36-45H,6,8-9,11-12,17-19,21-27,29-30H2,1-5H3,(H2,61,83)(H,65,81)(H,67,80)(H,68,79)(H,69,86)(H,70,90)(H,71,87)(H,72,85)(H,73,84)(H,74,88)(H,75,89)(H,76,91)(H4,62,63,66)/t36-,37-,38-,39?,40+,41-,42-,43-,44?,45-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085718
(CHEMBL410820 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88ClN17O15/c1-5-41(73-36(4)84)56(89)79-47(30-38-17-19-40(66)20-18-38)60(93)80-48(31-39-14-9-24-69-33-39)61(94)81-49-32-53(86)72-34-50(54(67)87)82-63(96)51-16-11-27-83(51)64(97)44-23-26-70-55(88)46(29-37-12-7-6-8-13-37)74-52(85)22-21-43(76-62(49)95)58(91)75-42(15-10-25-71-65(68)98)57(90)78-45(28-35(2)3)59(92)77-44/h6-9,12-14,17-20,24,33,35,41-51H,5,10-11,15-16,21-23,25-32,34H2,1-4H3,(H2,67,87)(H,70,88)(H,72,86)(H,73,84)(H,74,85)(H,75,91)(H,76,95)(H,77,92)(H,78,90)(H,79,89)(H,80,93)(H,81,94)(H,82,96)(H3,68,71,98)/t41-,42-,43-,44?,45+,46+,47-,48-,49-,50?,51-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085710
(CHEMBL414756 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C62H92ClN21O14/c1-5-37(74-33(4)85)52(90)80-43(27-34-14-16-36(63)17-15-34)56(94)81-44(28-35-10-6-21-69-30-35)57(95)82-45-29-49(87)73-31-46(50(64)88)83-59(97)47-13-9-25-84(47)60(98)41-20-24-70-51(89)38(11-7-22-71-61(65)66)75-48(86)19-18-40(77-58(45)96)54(92)76-39(12-8-23-72-62(67)68)53(91)79-42(26-32(2)3)55(93)78-41/h6,10,14-17,21,30,32,37-47H,5,7-9,11-13,18-20,22-29,31H2,1-4H3,(H2,64,88)(H,70,89)(H,73,87)(H,74,85)(H,75,86)(H,76,92)(H,77,96)(H,78,93)(H,79,91)(H,80,90)(H,81,94)(H,82,95)(H,83,97)(H4,65,66,71)(H4,67,68,72)/t37-,38+,39-,40-,41?,42+,43-,44-,45-,46?,47-/m0/s1 | KEGG
UniProtKB/SwissProt
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UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50261242
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:29.31,(31.4,-35.83,;30.07,-36.61,;30.08,-38.15,;31.42,-38.92,;31.42,-40.46,;30.09,-41.23,;28.76,-40.46,;28.75,-38.92,;27.41,-38.16,;27.43,-41.23,;27.43,-42.77,;28.76,-43.54,;26.1,-43.53,;26.1,-45.07,;27.43,-45.84,;28.76,-45.07,;27.42,-44.3,;30.09,-45.84,;30.09,-47.38,;28.76,-48.15,;27.43,-47.38,;26.09,-48.15,;24.75,-48.91,;26.85,-49.49,;25.33,-46.81,;24.77,-42.77,;23.44,-43.54,;24.77,-41.23,;23.44,-40.46,;22.1,-41.24,;22.11,-42.78,;20.77,-40.48,;20.77,-38.93,;19.44,-38.17,;18.1,-38.94,;18.11,-40.49,;19.45,-41.25,;26.1,-40.45,;26.1,-38.91,)| Show InChI InChI=1S/C28H27F2N3O5S/c1-17-25(19-11-7-13-23(38-2)26(19)30)27(34)33(16-22(31)18-9-5-4-6-10-18)28(35)32(17)15-20-21(29)12-8-14-24(20)39(3,36)37/h4-14,22H,15-16,31H2,1-3H3/t22-/m0/s1 | PDB
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc
Curated by ChEMBL
| Assay Description
Binding affinity at human GnRH receptor |
J Med Chem 51: 3331-48 (2008)
Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50213665
((S)-1-(3-(1-(4-(1H-tetrazol-5-yl)phenethylamino)pr...)Show SMILES C[C@H](CNCCc1ccc(cc1)-c1nnn[nH]1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C36H37F4N7O/c1-21-15-22(2)17-26(16-21)34-33(23(3)19-41-13-11-24-7-9-25(10-8-24)35-43-45-46-44-35)28-20-47(14-12-31(28)42-34)32(48)18-27-29(36(38,39)40)5-4-6-30(27)37/h4-10,15-17,23,41-42H,11-14,18-20H2,1-3H3,(H,43,44,45,46)/t23-/m1/s1 | KEGG
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR |
Bioorg Med Chem Lett 17: 3845-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50067485
(3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-b...)Show SMILES CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44) | PDB
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| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 13: 3617-22 (2003)
BindingDB Entry DOI: 10.7270/Q24X576N |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122654
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45) | PDB
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| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 13: 3617-22 (2003)
BindingDB Entry DOI: 10.7270/Q24X576N |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085797
(CHEMBL407361 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)[C@@H](C)NC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C71H91ClN18O14/c1-37(2)29-51-64(98)83-50(15-9-26-77-71(74)75)70(104)90-28-10-16-57(90)69(103)89-56(60(73)94)36-79-59(93)34-55-68(102)82-49(63(97)86-53(66(100)84-51)32-41-17-20-42-11-5-6-12-43(42)30-41)25-27-76-61(95)38(3)80-58(92)24-23-48(81-39(4)91)62(96)85-52(31-40-18-21-45(72)22-19-40)65(99)87-54(67(101)88-55)33-44-35-78-47-14-8-7-13-46(44)47/h5-8,11-14,17-22,30,35,37-38,48-57,78H,9-10,15-16,23-29,31-34,36H2,1-4H3,(H2,73,94)(H,76,95)(H,79,93)(H,80,92)(H,81,91)(H,82,102)(H,83,98)(H,84,100)(H,85,96)(H,86,97)(H,87,99)(H,88,101)(H,89,103)(H4,74,75,77)/t38-,48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1 | KEGG
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UniChem
Similars
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085799
(CHEMBL439083 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C69H87ClN18O14/c1-36(2)26-48-61(95)81-47(14-8-23-75-69(72)73)68(102)88-25-9-15-55(88)67(101)87-54(59(71)93)34-77-56(90)32-53-66(100)80-46(60(94)83-50(63(97)82-48)29-39-16-19-40-10-4-5-11-41(40)27-39)22-24-74-58(92)35-78-57(91)31-52(79-37(3)89)65(99)84-49(28-38-17-20-43(70)21-18-38)62(96)85-51(64(98)86-53)30-42-33-76-45-13-7-6-12-44(42)45/h4-7,10-13,16-21,27,33,36,46-55,76H,8-9,14-15,22-26,28-32,34-35H2,1-3H3,(H2,71,93)(H,74,92)(H,77,90)(H,78,91)(H,79,89)(H,80,100)(H,81,95)(H,82,97)(H,83,94)(H,84,99)(H,85,96)(H,86,98)(H,87,101)(H4,72,73,75)/t46-,47+,48-,49+,50-,51-,52-,53-,54-,55-/m1/s1 | KEGG
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PC sid
UniChem
Similars
| PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085720
(CHEMBL404930 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H89ClN18O14/c1-5-41(74-36(4)85)56(90)80-47(30-38-17-19-40(66)20-18-38)60(94)81-48(31-39-14-9-24-70-33-39)61(95)82-49-32-53(87)73-34-50(54(67)88)83-63(97)51-16-11-27-84(51)64(98)44-23-26-71-55(89)46(29-37-12-7-6-8-13-37)75-52(86)22-21-43(77-62(49)96)58(92)76-42(15-10-25-72-65(68)69)57(91)79-45(28-35(2)3)59(93)78-44/h6-9,12-14,17-20,24,33,35,41-51H,5,10-11,15-16,21-23,25-32,34H2,1-4H3,(H2,67,88)(H,71,89)(H,73,87)(H,74,85)(H,75,86)(H,76,92)(H,77,96)(H,78,93)(H,79,91)(H,80,90)(H,81,94)(H,82,95)(H,83,97)(H4,68,69,72)/t41-,42-,43-,44?,45+,46-,47-,48-,49-,50?,51-/m0/s1 | KEGG
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085737
(CHEMBL438597 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88Cl2N18O14/c1-5-41(75-35(4)86)56(91)81-47(29-37-14-18-40(67)19-15-37)60(95)82-48(30-38-9-6-23-71-32-38)61(96)83-49-31-53(88)74-33-50(54(68)89)84-63(98)51-11-8-26-85(51)64(99)44-22-25-72-55(90)46(28-36-12-16-39(66)17-13-36)76-52(87)21-20-43(78-62(49)97)58(93)77-42(10-7-24-73-65(69)70)57(92)80-45(27-34(2)3)59(94)79-44/h6,9,12-19,23,32,34,41-51H,5,7-8,10-11,20-22,24-31,33H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t41-,42-,43-,44?,45+,46+,47-,48-,49-,50?,51-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50085783
(CHEMBL438897 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C70H89ClN18O14/c1-37(2)28-50-63(97)82-49(14-8-25-76-70(73)74)69(103)89-27-9-15-56(89)68(102)88-55(60(72)94)35-78-58(92)33-54-67(101)81-48(62(96)85-52(65(99)83-50)31-40-16-19-41-10-4-5-11-42(41)29-40)24-26-75-59(93)36-79-57(91)23-22-47(80-38(3)90)61(95)84-51(30-39-17-20-44(71)21-18-39)64(98)86-53(66(100)87-54)32-43-34-77-46-13-7-6-12-45(43)46/h4-7,10-13,16-21,29,34,37,47-56,77H,8-9,14-15,22-28,30-33,35-36H2,1-3H3,(H2,72,94)(H,75,93)(H,78,92)(H,79,91)(H,80,90)(H,81,101)(H,82,97)(H,83,99)(H,84,95)(H,85,96)(H,86,98)(H,87,100)(H,88,102)(H4,73,74,76)/t47-,48-,49+,50-,51+,52-,53-,54-,55-,56-/m1/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor |
J Med Chem 43: 819-28 (2000)
BindingDB Entry DOI: 10.7270/Q24X570Z |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085783
(CHEMBL438897 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C70H89ClN18O14/c1-37(2)28-50-63(97)82-49(14-8-25-76-70(73)74)69(103)89-27-9-15-56(89)68(102)88-55(60(72)94)35-78-58(92)33-54-67(101)81-48(62(96)85-52(65(99)83-50)31-40-16-19-41-10-4-5-11-42(41)29-40)24-26-75-59(93)36-79-57(91)23-22-47(80-38(3)90)61(95)84-51(30-39-17-20-44(71)21-18-39)64(98)86-53(66(100)87-54)32-43-34-77-46-13-7-6-12-45(43)46/h4-7,10-13,16-21,29,34,37,47-56,77H,8-9,14-15,22-28,30-33,35-36H2,1-3H3,(H2,72,94)(H,75,93)(H,78,92)(H,79,91)(H,80,90)(H,81,101)(H,82,97)(H,83,99)(H,84,95)(H,85,96)(H,86,98)(H,87,100)(H,88,102)(H4,73,74,76)/t47-,48-,49+,50-,51+,52-,53-,54-,55-,56-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085771
(CHEMBL436657 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CSSC[C@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C65H81ClN16O12S2/c1-34(2)24-45-56(86)74-44(14-8-22-70-65(68)69)64(94)82-23-9-15-53(82)63(93)80-50(55(67)85)31-72-54(84)29-49-60(90)81-52(62(92)77-47(58(88)75-45)27-37-16-19-38-10-4-5-11-39(38)25-37)33-96-95-32-51(73-35(3)83)61(91)76-46(26-36-17-20-41(66)21-18-36)57(87)78-48(59(89)79-49)28-40-30-71-43-13-7-6-12-42(40)43/h4-7,10-13,16-21,25,30,34,44-53,71H,8-9,14-15,22-24,26-29,31-33H2,1-3H3,(H2,67,85)(H,72,84)(H,73,83)(H,74,86)(H,75,88)(H,76,91)(H,77,92)(H,78,87)(H,79,89)(H,80,93)(H,81,90)(H4,68,69,70)/t44-,45+,46-,47+,48+,49+,50+,51-,52+,53+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085810
(CHEMBL406809 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C70H90ClN17O13/c1-38(2)30-51-63(95)81-50(17-10-28-76-70(73)74)69(101)88-29-11-18-57(88)68(100)87-56(60(72)92)37-78-59(91)35-55-67(99)80-48(61(93)84-53(65(97)82-51)33-41-19-22-42-12-4-5-13-43(42)31-41)16-8-9-27-75-58(90)26-25-49(79-39(3)89)62(94)83-52(32-40-20-23-45(71)24-21-40)64(96)85-54(66(98)86-55)34-44-36-77-47-15-7-6-14-46(44)47/h4-7,12-15,19-24,31,36,38,48-57,77H,8-11,16-18,25-30,32-35,37H2,1-3H3,(H2,72,92)(H,75,90)(H,78,91)(H,79,89)(H,80,99)(H,81,95)(H,82,97)(H,83,94)(H,84,93)(H,85,96)(H,86,98)(H,87,100)(H4,73,74,76)/t48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity of the compound for rat Gonadotropin-releasing hormone receptor membrane evaluated using HEK-293 cells transfected with rat Gonadotropin-rel... |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085732
(CHEMBL406094 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCCNC(=O)C(Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C66H91ClN18O14/c1-5-42(75-37(4)86)57(91)81-48(31-39-19-21-41(67)22-20-39)61(95)82-49(32-40-15-9-25-71-34-40)62(96)83-50-33-54(88)74-35-51(55(68)89)84-64(98)52-18-12-28-85(52)65(99)45-17-11-26-72-56(90)47(30-38-13-7-6-8-14-38)76-53(87)24-23-44(78-63(50)97)59(93)77-43(16-10-27-73-66(69)70)58(92)80-46(29-36(2)3)60(94)79-45/h6-9,13-15,19-22,25,34,36,42-52H,5,10-12,16-18,23-24,26-33,35H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t42-,43-,44-,45?,46+,47?,48-,49-,50-,51?,52-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50085815
(CHEMBL269726 | cyclo(4-10)[Ac-3Pro-DFpa-DTrp-c[Asp...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C=CCN1C(C)=O |c:104| Show InChI InChI=1S/C73H87FN16O13/c1-40(2)31-53-64(95)81-52(15-8-28-78-73(76)77)72(103)90-30-10-17-61(90)71(102)88-59(63(75)94)39-80-62(93)37-58(69(100)83-54(34-43-21-26-49(92)27-22-43)65(96)84-56(67(98)82-53)35-44-18-23-45-11-4-5-12-46(45)32-44)86-68(99)57(36-47-38-79-51-14-7-6-13-50(47)51)85-66(97)55(33-42-19-24-48(74)25-20-42)87-70(101)60-16-9-29-89(60)41(3)91/h4-7,9,11-14,16,18-27,32,38,40,52-61,79,92H,8,10,15,17,28-31,33-37,39H2,1-3H3,(H2,75,94)(H,80,93)(H,81,95)(H,82,98)(H,83,100)(H,84,96)(H,85,97)(H,86,99)(H,87,101)(H,88,102)(H4,76,77,78)/t52-,53+,54+,55-,56+,57-,58+,59+,60-,61+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor |
J Med Chem 43: 819-28 (2000)
BindingDB Entry DOI: 10.7270/Q24X570Z |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085768
(CHEMBL268538 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C=CCN1C(C)=O |c:104| Show InChI InChI=1S/C73H87FN16O13/c1-40(2)31-53-64(95)81-52(15-8-28-78-73(76)77)72(103)90-30-10-17-61(90)71(102)88-59(63(75)94)39-80-62(93)37-58(69(100)83-54(34-43-21-26-49(92)27-22-43)65(96)84-56(67(98)82-53)35-44-18-23-45-11-4-5-12-46(45)32-44)86-68(99)57(36-47-38-79-51-14-7-6-13-50(47)51)85-66(97)55(33-42-19-24-48(74)25-20-42)87-70(101)60-16-9-29-89(60)41(3)91/h4-7,9,11-14,16,18-27,32,38,40,52-61,79,92H,8,10,15,17,28-31,33-37,39H2,1-3H3,(H2,75,94)(H,80,93)(H,81,95)(H,82,98)(H,83,100)(H,84,96)(H,85,97)(H,86,99)(H,87,101)(H,88,102)(H4,76,77,78)/t52-,53-,54-,55-,56-,57+,58-,59?,60-,61-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085735
(CHEMBL412681 | Cyclo (5-8) [Ac-D Nal, D Cpa, D Pal...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)Nc2ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O)cc2 Show InChI InChI=1S/C61H83ClN16O14/c1-6-40(69-34(5)79)52(84)74-44(27-35-13-17-38(62)18-14-35)56(88)75-45(29-37-10-7-23-66-31-37)57(89)76-46(30-50(81)82)58(90)72-42-21-22-49(80)70-39-19-15-36(16-20-39)28-47(60(92)78-25-9-12-48(78)59(91)68-33(4)51(63)83)77-55(87)43(26-32(2)3)73-53(85)41(71-54(42)86)11-8-24-67-61(64)65/h7,10,13-20,23,31-33,40-48H,6,8-9,11-12,21-22,24-30H2,1-5H3,(H2,63,83)(H,68,91)(H,69,79)(H,70,80)(H,71,86)(H,72,90)(H,73,85)(H,74,84)(H,75,88)(H,76,89)(H,77,87)(H,81,82)(H4,64,65,67)/t33-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50377898
(CHEMBL256109)Show SMILES COc1cccc(c1Cl)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wD:29.31,(31.26,-23.84,;29.93,-24.61,;29.93,-26.15,;31.27,-26.92,;31.27,-28.47,;29.93,-29.23,;28.61,-28.46,;28.6,-26.92,;27.27,-26.16,;27.27,-29.22,;27.27,-30.77,;28.6,-31.54,;25.93,-31.53,;25.93,-33.07,;25.11,-34.38,;23.57,-34.34,;22.84,-32.98,;22.77,-35.65,;23.51,-37,;25.05,-37.04,;25.85,-35.73,;27.39,-35.76,;28.93,-35.75,;27.38,-37.3,;27.41,-34.22,;24.61,-30.76,;23.27,-31.53,;24.61,-29.22,;23.28,-28.45,;21.95,-29.22,;21.95,-30.76,;20.61,-28.45,;20.61,-26.91,;21.85,-26,;21.37,-24.54,;19.83,-24.54,;19.36,-26.01,;25.94,-28.45,;25.94,-26.91,)| Show InChI InChI=1S/C28H30ClF4N3O3/c1-16(34-18-8-4-5-9-18)14-36-26(37)24(19-10-6-13-23(39-3)25(19)29)17(2)35(27(36)38)15-20-21(28(31,32)33)11-7-12-22(20)30/h6-7,10-13,16,18,34H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human GnRHR |
Bioorg Med Chem Lett 18: 3344-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.029
BindingDB Entry DOI: 10.7270/Q2CJ8FBF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50377898
(CHEMBL256109)Show SMILES COc1cccc(c1Cl)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wD:29.31,(31.26,-23.84,;29.93,-24.61,;29.93,-26.15,;31.27,-26.92,;31.27,-28.47,;29.93,-29.23,;28.61,-28.46,;28.6,-26.92,;27.27,-26.16,;27.27,-29.22,;27.27,-30.77,;28.6,-31.54,;25.93,-31.53,;25.93,-33.07,;25.11,-34.38,;23.57,-34.34,;22.84,-32.98,;22.77,-35.65,;23.51,-37,;25.05,-37.04,;25.85,-35.73,;27.39,-35.76,;28.93,-35.75,;27.38,-37.3,;27.41,-34.22,;24.61,-30.76,;23.27,-31.53,;24.61,-29.22,;23.28,-28.45,;21.95,-29.22,;21.95,-30.76,;20.61,-28.45,;20.61,-26.91,;21.85,-26,;21.37,-24.54,;19.83,-24.54,;19.36,-26.01,;25.94,-28.45,;25.94,-26.91,)| Show InChI InChI=1S/C28H30ClF4N3O3/c1-16(34-18-8-4-5-9-18)14-36-26(37)24(19-10-6-13-23(39-3)25(19)29)17(2)35(27(36)38)15-20-21(28(31,32)33)11-7-12-22(20)30/h6-7,10-13,16,18,34H,4-5,8-9,14-15H2,1-3H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human GnRHR |
Bioorg Med Chem Lett 18: 3344-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.029
BindingDB Entry DOI: 10.7270/Q2CJ8FBF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50213671
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(quinoxalin-...)Show SMILES C[C@H](CNCCc1ccc2nccnc2c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C37H37F4N5O/c1-22-15-23(2)17-26(16-22)36-35(24(3)20-42-11-9-25-7-8-32-33(18-25)44-13-12-43-32)28-21-46(14-10-31(28)45-36)34(47)19-27-29(37(39,40)41)5-4-6-30(27)38/h4-8,12-13,15-18,24,42,45H,9-11,14,19-21H2,1-3H3/t24-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR |
Bioorg Med Chem Lett 17: 3845-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085772
(CHEMBL411964 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C70H89ClN18O14/c1-37(2)27-49-62(96)82-48(16-9-25-76-70(73)74)69(103)89-26-10-17-56(89)68(102)88-55(60(72)94)35-78-57(91)33-54-67(101)81-47(61(95)84-51(64(98)83-49)30-40-18-21-41-11-4-5-12-42(41)28-40)15-8-24-75-59(93)36-79-58(92)32-53(80-38(3)90)66(100)85-50(29-39-19-22-44(71)23-20-39)63(97)86-52(65(99)87-54)31-43-34-77-46-14-7-6-13-45(43)46/h4-7,11-14,18-23,28,34,37,47-56,77H,8-10,15-17,24-27,29-33,35-36H2,1-3H3,(H2,72,94)(H,75,93)(H,78,91)(H,79,92)(H,80,90)(H,81,101)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,97)(H,87,99)(H,88,102)(H4,73,74,76)/t47-,48+,49-,50+,51-,52-,53-,54-,55-,56-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085753
(CHEMBL409996 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Dbu-Ser-...)Show SMILES CCCCC1CC(NC(=O)CCC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C69H94ClN15O14/c1-6-7-14-47-36-55(78-58(89)28-27-49(76-40(5)87)60(91)81-52(61(92)77-47)33-41-18-23-46(70)24-19-41)65(96)84-56(37-86)66(97)83-53(34-42-20-25-48(88)26-21-42)63(94)82-54(35-43-17-22-44-12-8-9-13-45(44)32-43)64(95)80-51(31-38(2)3)62(93)79-50(15-10-29-74-69(72)73)68(99)85-30-11-16-57(85)67(98)75-39(4)59(71)90/h8-9,12-13,17-26,32,38-39,47,49-57,86,88H,6-7,10-11,14-16,27-31,33-37H2,1-5H3,(H2,71,90)(H,75,98)(H,76,87)(H,77,92)(H,78,89)(H,79,93)(H,80,95)(H,81,91)(H,82,94)(H,83,97)(H,84,96)(H4,72,73,74)/t39?,47?,49?,50-,51+,52+,53-,54?,55?,56-,57+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085704
(CHEMBL440436 | Cyclo (4-10) [Ac-D Nal, D Cpa, D Pa...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CC(=O)N(CC(N)=O)C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCC(O)=O)NC1=O Show InChI InChI=1S/C57H83ClN16O14/c1-5-36(65-32(4)75)48(80)70-41(26-33-15-17-35(58)18-16-33)52(84)71-42(27-34-11-8-22-63-29-34)53(85)72-43-28-46(77)74(30-45(60)76)56(88)44-14-10-24-73(44)55(87)39(12-6-7-21-59)68-51(83)40(25-31(2)3)69-49(81)37(13-9-23-64-57(61)62)66-50(82)38(67-54(43)86)19-20-47(78)79/h8,11,15-18,22,29,31,36-44H,5-7,9-10,12-14,19-21,23-28,30,59H2,1-4H3,(H2,60,76)(H,65,75)(H,66,82)(H,67,86)(H,68,83)(H,69,81)(H,70,80)(H,71,84)(H,72,85)(H,78,79)(H4,61,62,64)/t36-,37-,38+,39-,40+,41-,42-,43+,44+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085711
(CHEMBL412682 | DiCyclo (4-10/5-8) [Ac-D Nal, D Cpa...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C61H86ClN17O13/c1-5-38(70-33(4)80)52(84)75-44(27-34-17-19-36(62)20-18-34)56(88)76-45(28-35-30-68-39-13-7-6-12-37(35)39)57(89)77-46-29-50(82)69-31-47(51(63)83)78-59(91)48-16-11-25-79(48)60(92)42-14-8-9-23-66-49(81)22-21-41(72-58(46)90)54(86)71-40(15-10-24-67-61(64)65)53(85)74-43(26-32(2)3)55(87)73-42/h6-7,12-13,17-20,30,32,38,40-48,68H,5,8-11,14-16,21-29,31H2,1-4H3,(H2,63,83)(H,66,81)(H,69,82)(H,70,80)(H,71,86)(H,72,90)(H,73,87)(H,74,85)(H,75,84)(H,76,88)(H,77,89)(H,78,91)(H4,64,65,67)/t38-,40+,41-,42+,43-,44-,45-,46-,47?,48-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50085816
(CHEMBL441208 | dicyclo(4-10/5-8)[Ac-D2Nal-DCpa-DTr...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O Show InChI InChI=1S/C70H90ClN17O13/c1-38(2)30-51-63(95)82-50-16-8-9-27-75-58(90)26-25-49(62(94)80-48(61(93)83-51)17-10-28-76-70(73)74)81-67(99)55(35-59(91)78-37-56(60(72)92)87-68(100)57-18-11-29-88(57)69(50)101)86-66(98)54(34-44-36-77-47-15-7-6-14-46(44)47)85-65(97)53(32-40-20-23-45(71)24-21-40)84-64(96)52(79-39(3)89)33-41-19-22-42-12-4-5-13-43(42)31-41/h4-7,12-15,19-24,31,36,38,48-57,77H,8-11,16-18,25-30,32-35,37H2,1-3H3,(H2,72,92)(H,75,90)(H,78,91)(H,79,89)(H,80,94)(H,81,99)(H,82,95)(H,83,93)(H,84,96)(H,85,97)(H,86,98)(H,87,100)(H4,73,74,76)/t48-,49-,50+,51-,52+,53+,54+,55-,56-,57-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Gonadotropin-releasing hormone receptor |
J Med Chem 43: 819-28 (2000)
BindingDB Entry DOI: 10.7270/Q24X570Z |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085757
(CHEMBL427745 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)Show SMILES CCCCC1C[C@@H](NC(=O)CCNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C71H97ClN16O15/c1-6-7-14-48-36-55(81-59(92)27-29-76-60(93)37-56(79-41(5)90)67(100)84-52(62(95)80-48)33-42-18-23-47(72)24-19-42)66(99)87-57(38-89)68(101)86-53(34-43-20-25-49(91)26-21-43)64(97)85-54(35-44-17-22-45-12-8-9-13-46(45)32-44)65(98)83-51(31-39(2)3)63(96)82-50(15-10-28-77-71(74)75)70(103)88-30-11-16-58(88)69(102)78-40(4)61(73)94/h8-9,12-13,17-26,32,39-40,48,50-58,89,91H,6-7,10-11,14-16,27-31,33-38H2,1-5H3,(H2,73,94)(H,76,93)(H,78,102)(H,79,90)(H,80,95)(H,81,92)(H,82,96)(H,83,98)(H,84,100)(H,85,97)(H,86,101)(H,87,99)(H4,74,75,77)/t40?,48?,50-,51+,52+,53-,54?,55+,56?,57-,58+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085788
(CHEMBL405053 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O Show InChI InChI=1S/C70H90FN17O13/c1-38(2)30-51-63(95)82-50-16-8-9-27-75-58(90)26-25-49(62(94)80-48(61(93)83-51)17-10-28-76-70(73)74)81-67(99)55(35-59(91)78-37-56(60(72)92)87-68(100)57-18-11-29-88(57)69(50)101)86-66(98)54(34-44-36-77-47-15-7-6-14-46(44)47)85-65(97)53(32-40-20-23-45(71)24-21-40)84-64(96)52(79-39(3)89)33-41-19-22-42-12-4-5-13-43(42)31-41/h4-7,12-15,19-24,31,36,38,48-57,77H,8-11,16-18,25-30,32-35,37H2,1-3H3,(H2,72,92)(H,75,90)(H,78,91)(H,79,89)(H,80,94)(H,81,99)(H,82,95)(H,83,93)(H,84,96)(H,85,97)(H,86,98)(H,87,100)(H4,73,74,76)/t48-,49-,50+,51-,52+,53-,54+,55-,56?,57-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085746
(CHEMBL405223 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-48(60(93)78-47(13-8-26-73-67(70)71)66(99)84-27-9-14-54(84)65(98)75-37(3)57(69)90)79-62(95)51(32-41-15-20-42-10-5-6-11-43(42)29-41)81-61(94)50(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-59(92)46-12-7-25-72-58(91)49(30-39-16-21-44(68)22-17-39)80-63(96)52(76-38(4)86)33-55(88)74-34-56(89)77-46/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,91)(H,74,88)(H,75,98)(H,76,86)(H,77,89)(H,78,93)(H,79,95)(H,80,96)(H,81,94)(H,82,97)(H,83,92)(H4,70,71,73)/t37?,46-,47+,48-,49-,50+,51?,52?,53+,54-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085722
(CHEMBL413896 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H]2CCCN2C(=O)C2CCNC(=O)CNC(=O)C[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C57H81ClN18O14/c1-5-34(67-30(4)77)48(82)71-38(22-31-12-14-33(58)15-13-31)51(85)72-39(23-32-9-6-17-62-26-32)52(86)73-41-24-44(78)65-27-42(47(59)81)75-55(89)43-11-8-20-76(43)56(90)36-16-19-63-46(80)28-66-45(79)25-40(74-54(41)88)53(87)68-35(10-7-18-64-57(60)61)49(83)70-37(21-29(2)3)50(84)69-36/h6,9,12-15,17,26,29,34-43H,5,7-8,10-11,16,18-25,27-28H2,1-4H3,(H2,59,81)(H,63,80)(H,65,78)(H,66,79)(H,67,77)(H,68,87)(H,69,84)(H,70,83)(H,71,82)(H,72,85)(H,73,86)(H,74,88)(H,75,89)(H4,60,61,64)/t34-,35+,36?,37+,38-,39-,40+,41+,42?,43+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085751
(CHEMBL437230 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...)Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C66H87ClN16O15/c1-35(2)27-46(58(91)77-45(11-7-24-72-66(69)70)65(98)83-26-8-12-53(83)64(97)74-36(3)56(68)89)78-60(93)49(31-40-13-18-41-9-5-6-10-42(41)28-40)80-59(92)48(30-39-16-21-44(86)22-17-39)81-63(96)52(34-84)82-62(95)51-33-73-57(90)47(29-38-14-19-43(67)20-15-38)79-61(94)50(75-37(4)85)32-55(88)71-25-23-54(87)76-51/h5-6,9-10,13-22,28,35-36,45-53,84,86H,7-8,11-12,23-27,29-34H2,1-4H3,(H2,68,89)(H,71,88)(H,73,90)(H,74,97)(H,75,85)(H,76,87)(H,77,91)(H,78,93)(H,79,94)(H,80,92)(H,81,96)(H,82,95)(H4,69,70,72)/t36?,45-,46+,47+,48-,49?,50?,51+,52-,53+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 |
J Med Chem 43: 797-806 (2000)
BindingDB Entry DOI: 10.7270/Q2DF6QD5 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50377895
(CHEMBL556355)Show SMILES COc1cccc(c1Cl)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(CC(CO)NC2CCCC2)c1=O Show InChI InChI=1S/C28H30ClF4N3O4.ClH/c1-16-24(19-9-5-12-23(40-2)25(19)29)26(38)36(13-18(15-37)34-17-7-3-4-8-17)27(39)35(16)14-20-21(28(31,32)33)10-6-11-22(20)30;/h5-6,9-12,17-18,34,37H,3-4,7-8,13-15H2,1-2H3;1H/t18-;/m1./s1 | PDB
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PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human GnRHR |
Bioorg Med Chem Lett 18: 3344-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.029
BindingDB Entry DOI: 10.7270/Q2CJ8FBF |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085730
(CHEMBL407074 | Cyclo (4-10) [Ac-D Nal, D Fpa, D Tr...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C61H88FN17O14/c1-5-38(70-33(4)80)52(85)75-44(27-34-17-19-36(62)20-18-34)56(89)76-45(28-35-30-68-39-13-7-6-12-37(35)39)57(90)77-46-29-49(81)69-31-47(51(64)84)78-59(92)48-16-11-25-79(48)60(93)42(14-8-9-23-63)73-55(88)43(26-32(2)3)74-53(86)40(15-10-24-67-61(65)66)71-54(87)41(72-58(46)91)21-22-50(82)83/h6-7,12-13,17-20,30,32,38,40-48,68H,5,8-11,14-16,21-29,31,63H2,1-4H3,(H2,64,84)(H,69,81)(H,70,80)(H,71,87)(H,72,91)(H,73,88)(H,74,86)(H,75,85)(H,76,89)(H,77,90)(H,78,92)(H,82,83)(H4,65,66,67)/t38-,40+,41-,42+,43-,44-,45-,46-,47?,48-/m0/s1 | KEGG
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085729
(CHEMBL438902 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C58H83ClN18O14/c1-5-35(68-31(4)78)49(83)72-39(24-32-12-14-34(59)15-13-32)52(86)73-40(25-33-9-6-18-63-28-33)53(87)74-42-27-47(81)67-29-43(48(60)82)76-56(90)44-11-8-22-77(44)57(91)37-16-20-64-45(79)17-21-65-46(80)26-41(75-55(42)89)54(88)69-36(10-7-19-66-58(61)62)50(84)71-38(23-30(2)3)51(85)70-37/h6,9,12-15,18,28,30,35-44H,5,7-8,10-11,16-17,19-27,29H2,1-4H3,(H2,60,82)(H,64,79)(H,65,80)(H,67,81)(H,68,78)(H,69,88)(H,70,85)(H,71,84)(H,72,83)(H,73,86)(H,74,87)(H,75,89)(H,76,90)(H4,61,62,66)/t35-,36-,37?,38+,39-,40-,41-,42-,43?,44-/m0/s1 | KEGG
UniProtKB/SwissProt
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 784-96 (2000)
BindingDB Entry DOI: 10.7270/Q2J38RS2 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085775
(CHEMBL410779 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C71H88ClN17O14/c1-38(2)28-50-63(96)82-49(14-8-25-77-71(74)75)70(103)89-27-9-15-57(89)69(102)88-56(61(73)94)36-78-58(91)35-55-68(101)81-48(62(95)84-52(65(98)83-50)32-41-16-20-43-10-4-6-12-45(43)29-41)24-26-76-60(93)37-79-59(92)34-54(80-39(3)90)67(100)85-51(31-40-18-22-47(72)23-19-40)64(97)86-53(66(99)87-55)33-42-17-21-44-11-5-7-13-46(44)30-42/h4-7,10-13,16-23,29-30,38,48-57H,8-9,14-15,24-28,31-37H2,1-3H3,(H2,73,94)(H,76,93)(H,78,91)(H,79,92)(H,80,90)(H,81,101)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,97)(H,87,99)(H,88,102)(H4,74,75,77)/t48-,49+,50-,51+,52-,53-,54-,55-,56-,57-/m1/s1 | KEGG
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50098391
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 13: 3617-22 (2003)
BindingDB Entry DOI: 10.7270/Q24X576N |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50213664
((S)-5-(2-(2-(2-(3,5-dimethylphenyl)-5-(2-(2-fluoro...)Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C35H38F4N4O2/c1-21-14-22(2)16-25(15-21)34-33(23(3)18-40-12-10-24-8-9-31(44)42(4)19-24)27-20-43(13-11-30(27)41-34)32(45)17-26-28(35(37,38)39)6-5-7-29(26)36/h5-9,14-16,19,23,40-41H,10-13,17-18,20H2,1-4H3/t23-/m1/s1 | KEGG
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PC sid
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR |
Bioorg Med Chem Lett 17: 3845-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50122652
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 13: 3617-22 (2003)
BindingDB Entry DOI: 10.7270/Q24X576N |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50085770
(CHEMBL216634 | Gonadotropin Releasing Hormone anal...)Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N2 Show InChI InChI=1S/C69H87ClN18O14/c1-36(2)26-48-61(95)80-47(14-8-24-74-69(72)73)68(102)88-25-9-15-55(88)67(101)86-53(59(71)93)33-76-57(91)31-52-65(99)87-54(66(100)83-50(63(97)81-48)29-39-16-19-40-10-4-5-11-41(40)27-39)34-77-58(92)35-78-56(90)23-22-46(79-37(3)89)60(94)82-49(28-38-17-20-43(70)21-18-38)62(96)84-51(64(98)85-52)30-42-32-75-45-13-7-6-12-44(42)45/h4-7,10-13,16-21,27,32,36,46-55,75H,8-9,14-15,22-26,28-31,33-35H2,1-3H3,(H2,71,93)(H,76,91)(H,77,92)(H,78,90)(H,79,89)(H,80,95)(H,81,97)(H,82,94)(H,83,100)(H,84,96)(H,85,98)(H,86,101)(H,87,99)(H4,72,73,74)/t46-,47+,48-,49+,50-,51-,52-,53-,54-,55-/m1/s1 | KEGG
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor |
J Med Chem 43: 807-18 (2000)
BindingDB Entry DOI: 10.7270/Q28P5ZQW |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50166441
((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)Show SMILES COc1cccc(c1Cl)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r| Show InChI InChI=1S/C27H22ClF4N3O3/c1-38-23-12-5-9-17(24(23)28)18-13-34(14-19-20(27(30,31)32)10-6-11-21(19)29)26(37)35(25(18)36)15-22(33)16-7-3-2-4-8-16/h2-13,22H,14-15,33H2,1H3/t22-/m0/s1 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc
Curated by ChEMBL
| Assay Description
Binding affinity at human GnRH receptor |
J Med Chem 51: 3331-48 (2008)
Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0 |
More data for this
Ligand-Target Pair | |
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