Found 36 hits of kd for UniProtKB: P30969 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007953
(CHEMBL414113 | pGlu-His-DPal-Ser-Tyr-DPal-Leu-ILys...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C62H86N16O13/c1-35(2)25-45(55(84)71-44(13-6-7-23-67-36(3)4)62(91)78-24-10-14-51(78)61(90)69-37(5)53(63)82)72-57(86)47(27-39-11-8-21-64-30-39)73-56(85)46(26-38-15-17-42(80)18-16-38)75-60(89)50(33-79)77-58(87)48(28-40-12-9-22-65-31-40)74-59(88)49(29-41-32-66-34-68-41)76-54(83)43-19-20-52(81)70-43/h8-9,11-12,15-18,21-22,30-32,34-37,43-51,67,79-80H,6-7,10,13-14,19-20,23-29,33H2,1-5H3,(H2,63,82)(H,66,68)(H,69,90)(H,70,81)(H,71,84)(H,72,86)(H,73,85)(H,74,88)(H,75,89)(H,76,83)(H,77,87)/t37-,43+,44+,45+,46+,47-,48-,49+,50+,51+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007944
(CHEMBL386314 | pGlu-His-Trp-Ser-NicLys-DNicLys-Leu...)Show SMILES CCCCN=C(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NC(N)=O |w:4.3| Show InChI InChI=1S/C75H106N22O15/c1-5-6-30-83-75(96-74(77)112)84-33-14-11-24-55(73(111)97-34-17-25-60(97)72(110)87-45(4)62(76)100)91-68(106)56(35-44(2)3)92-66(104)53(23-10-13-32-82-64(102)47-19-16-29-79-39-47)89-65(103)52(22-9-12-31-81-63(101)46-18-15-28-78-38-46)90-71(109)59(42-98)95-69(107)57(36-48-40-85-51-21-8-7-20-50(48)51)93-70(108)58(37-49-41-80-43-86-49)94-67(105)54-26-27-61(99)88-54/h7-8,15-16,18-21,28-29,38-41,43-45,52-60,85,98H,5-6,9-14,17,22-27,30-37,42H2,1-4H3,(H2,76,100)(H,80,86)(H,81,101)(H,82,102)(H,87,110)(H,88,99)(H,89,103)(H,90,109)(H,91,106)(H,92,104)(H,93,108)(H,94,105)(H,95,107)(H4,77,83,84,96,112)/t45-,52+,53-,54+,55+,56+,57+,58+,59+,60+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007958
(CHEMBL2369860 | pGlu-His-Trp-Ser-Orn(atz)-DOrn(atz...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C62H95N25O12/c1-32(2)25-43(53(94)76-42(15-8-9-21-67-33(3)4)58(99)87-24-12-18-47(87)57(98)72-34(5)49(63)90)77-51(92)40(17-11-23-69-62-82-60(65)84-86-62)74-50(91)39(16-10-22-68-61-81-59(64)83-85-61)75-56(97)46(30-88)80-54(95)44(26-35-28-70-38-14-7-6-13-37(35)38)78-55(96)45(27-36-29-66-31-71-36)79-52(93)41-19-20-48(89)73-41/h6-7,13-14,28-29,31-34,39-47,67,70,88H,8-12,15-27,30H2,1-5H3,(H2,63,90)(H,66,71)(H,72,98)(H,73,89)(H,74,91)(H,75,97)(H,76,94)(H,77,92)(H,78,96)(H,79,93)(H,80,95)(H4,64,68,81,83,85)(H4,65,69,82,84,86)/t34-,39+,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007952
(CHEMBL414391 | pGlu-His-Trp-Ser-Har(mCN)-DHar(mCN)...)Show SMILES CNC(NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCCNC(NC)=NC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:98.103,60.64| Show InChI InChI=1S/C66H101N23O12/c1-38(2)29-49(59(96)84-48(21-12-13-25-73-39(3)4)64(101)89-28-16-22-53(89)63(100)80-40(5)55(69)92)85-57(94)46(20-11-15-27-75-66(71-7)78-36-68)82-56(93)45(19-10-14-26-74-65(70-6)77-35-67)83-62(99)52(34-90)88-60(97)50(30-41-32-76-44-18-9-8-17-43(41)44)86-61(98)51(31-42-33-72-37-79-42)87-58(95)47-23-24-54(91)81-47/h8-9,17-18,32-33,37-40,45-53,73,76,90H,10-16,19-31,34H2,1-7H3,(H2,69,92)(H,72,79)(H,80,100)(H,81,91)(H,82,93)(H,83,99)(H,84,96)(H,85,94)(H,86,98)(H,87,95)(H,88,97)(H2,70,74,77)(H2,71,75,78)/t40-,45+,46-,47+,48+,49+,50+,51+,52+,53+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022918
(Ac-DNal-DCpa-DPal-Ser-Arg-DPal-Leu-Arg-Pro-DAla-NH...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C67H88ClN19O12/c1-37(2)30-49(58(92)81-48(17-10-28-77-67(72)73)65(99)87-29-11-18-53(87)62(96)78-38(3)56(69)90)83-63(97)54(44-14-7-25-74-34-44)85-57(91)47(16-9-27-76-66(70)71)80-61(95)52(36-88)84-64(98)55(45-15-8-26-75-35-45)86-60(94)51(32-40-20-23-46(68)24-21-40)82-59(93)50(79-39(4)89)33-41-19-22-42-12-5-6-13-43(42)31-41/h5-8,12-15,19-26,31,34-35,37-38,47-55,88H,9-11,16-18,27-30,32-33,36H2,1-4H3,(H2,69,90)(H,78,96)(H,79,89)(H,80,95)(H,81,92)(H,82,93)(H,83,97)(H,84,98)(H,85,91)(H,86,94)(H4,70,71,76)(H4,72,73,77)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022916
(Ac-delta3-Pro-DFpa-DTrp-Ser-Tyr-DTrp-Leu-Arg-Pro-G...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C=CCN1C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |c:73| Show InChI InChI=1S/C69H84FN15O14/c1-38(2)29-51(60(91)77-50(15-8-26-73-69(71)72)68(99)85-28-10-16-57(85)66(97)76-36-59(89)90)78-63(94)54(32-42-34-74-48-13-6-4-11-46(42)48)80-61(92)52(31-41-20-24-45(88)25-21-41)79-65(96)56(37-86)83-64(95)55(33-43-35-75-49-14-7-5-12-47(43)49)81-62(93)53(30-40-18-22-44(70)23-19-40)82-67(98)58-17-9-27-84(58)39(3)87/h4-7,9,11-14,17-25,34-35,38,50-58,74-75,86,88H,8,10,15-16,26-33,36-37H2,1-3H3,(H,76,97)(H,77,91)(H,78,94)(H,79,96)(H,80,92)(H,81,93)(H,82,98)(H,83,95)(H,89,90)(H4,71,72,73)/t50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007955
(CHEMBL218396 | pGlu-His-DLys(atz)-Ser-Tyr-DArg-Leu...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCNc1nnc(N)[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C60H96N22O13/c1-32(2)26-42(52(90)74-41(13-7-8-22-66-33(3)4)57(95)82-25-11-15-46(82)56(94)70-34(5)48(61)86)75-49(87)39(14-10-24-67-58(62)63)73-53(91)43(27-35-16-18-37(84)19-17-35)76-55(93)45(30-83)78-50(88)38(12-6-9-23-68-60-79-59(64)80-81-60)72-54(92)44(28-36-29-65-31-69-36)77-51(89)40-20-21-47(85)71-40/h16-19,29,31-34,38-46,66,83-84H,6-15,20-28,30H2,1-5H3,(H2,61,86)(H,65,69)(H,70,94)(H,71,85)(H,72,92)(H,73,91)(H,74,90)(H,75,87)(H,76,93)(H,77,89)(H,78,88)(H4,62,63,67)(H4,64,68,79,80,81)/t34-,38-,39-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007947
(CHEMBL269583 | pGlu-His-Trp-Ser-Har(2mpCN)-DHar(2m...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CCCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |w:44.46,23.24| Show InChI InChI=1S/C76H107N25O12/c1-46(2)35-59(69(108)96-58(25-12-15-29-81-47(3)4)74(113)101-34-18-26-63(101)73(112)92-48(5)65(79)104)97-67(106)56(24-11-17-33-85-76(90-44-78)88-41-51-20-9-14-31-83-51)94-66(105)55(23-10-16-32-84-75(89-43-77)87-40-50-19-8-13-30-82-50)95-72(111)62(42-102)100-70(109)60(36-49-38-86-54-22-7-6-21-53(49)54)98-71(110)61(37-52-39-80-45-91-52)99-68(107)57-27-28-64(103)93-57/h6-9,13-14,19-22,30-31,38-39,45-48,55-63,81,86,102H,10-12,15-18,23-29,32-37,40-42H2,1-5H3,(H2,79,104)(H,80,91)(H,92,112)(H,93,103)(H,94,105)(H,95,111)(H,96,108)(H,97,106)(H,98,110)(H,99,107)(H,100,109)(H2,84,87,89)(H2,85,88,90)/t48-,55+,56-,57+,58+,59+,60+,61+,62+,63+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007959
(CHEMBL438762 | pGlu-His-Trp-Ser-Har(iCN)-DHar(iCN)...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NC(C)C)=NC#N)NC(=O)[C@H](CCCCNC(NC(C)C)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |w:36.36,19.19| Show InChI InChI=1S/C70H109N23O12/c1-40(2)31-53(63(100)88-52(23-14-15-27-75-41(3)4)68(105)93-30-18-24-57(93)67(104)84-44(9)59(73)96)89-61(98)50(22-13-17-29-77-70(80-38-72)83-43(7)8)86-60(97)49(21-12-16-28-76-69(79-37-71)82-42(5)6)87-66(103)56(36-94)92-64(101)54(32-45-34-78-48-20-11-10-19-47(45)48)90-65(102)55(33-46-35-74-39-81-46)91-62(99)51-25-26-58(95)85-51/h10-11,19-20,34-35,39-44,49-57,75,78,94H,12-18,21-33,36H2,1-9H3,(H2,73,96)(H,74,81)(H,84,104)(H,85,95)(H,86,97)(H,87,103)(H,88,100)(H,89,98)(H,90,102)(H,91,99)(H,92,101)(H2,76,79,82)(H2,77,80,83)/t44-,49+,50-,51+,52+,53+,54+,55+,56+,57+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007960
(CHEMBL261999 | pGlu-His-Trp-Ser-Arg(2mpCN)-DArg(2m...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CCCNC(NCc1ccccn1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |w:42.44,22.23| Show InChI InChI=1S/C74H103N25O12/c1-44(2)33-57(67(106)94-56(21-10-13-27-79-45(3)4)72(111)99-32-16-24-61(99)71(110)90-46(5)63(77)102)95-65(104)54(23-15-31-83-74(88-42-76)86-39-49-18-9-12-29-81-49)92-64(103)53(22-14-30-82-73(87-41-75)85-38-48-17-8-11-28-80-48)93-70(109)60(40-100)98-68(107)58(34-47-36-84-52-20-7-6-19-51(47)52)96-69(108)59(35-50-37-78-43-89-50)97-66(105)55-25-26-62(101)91-55/h6-9,11-12,17-20,28-29,36-37,43-46,53-61,79,84,100H,10,13-16,21-27,30-35,38-40H2,1-5H3,(H2,77,102)(H,78,89)(H,90,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,85,87)(H2,83,86,88)/t46-,53+,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007957
(CHEMBL438191 | pGlu-His-Trp-Ser-NicLys-DNicLys-Leu...)Show SMILES CCCCNC(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:108.115| Show InChI InChI=1S/C75H104N22O14/c1-5-6-30-83-75(86-43-76)84-33-14-11-24-56(74(111)97-34-17-25-61(97)73(110)88-46(4)63(77)100)92-69(106)57(35-45(2)3)93-67(104)54(23-10-13-32-82-65(102)48-19-16-29-79-39-48)90-66(103)53(22-9-12-31-81-64(101)47-18-15-28-78-38-47)91-72(109)60(42-98)96-70(107)58(36-49-40-85-52-21-8-7-20-51(49)52)94-71(108)59(37-50-41-80-44-87-50)95-68(105)55-26-27-62(99)89-55/h7-8,15-16,18-21,28-29,38-41,44-46,53-61,85,98H,5-6,9-14,17,22-27,30-37,42H2,1-4H3,(H2,77,100)(H,80,87)(H,81,101)(H,82,102)(H,88,110)(H,89,99)(H,90,103)(H,91,109)(H,92,106)(H,93,104)(H,94,108)(H,95,105)(H,96,107)(H2,83,84,86)/t46-,53+,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007945
(CHEMBL2369851 | pGlu-His-Trp-Ser-Lys(atz)-DLys(atz...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C64H99N25O12/c1-34(2)27-45(55(96)78-44(19-10-11-23-69-35(3)4)60(101)89-26-14-20-49(89)59(100)74-36(5)51(65)92)79-53(94)42(18-9-13-25-71-64-84-62(67)86-88-64)76-52(93)41(17-8-12-24-70-63-83-61(66)85-87-63)77-58(99)48(32-90)82-56(97)46(28-37-30-72-40-16-7-6-15-39(37)40)80-57(98)47(29-38-31-68-33-73-38)81-54(95)43-21-22-50(91)75-43/h6-7,15-16,30-31,33-36,41-49,69,72,90H,8-14,17-29,32H2,1-5H3,(H2,65,92)(H,68,73)(H,74,100)(H,75,91)(H,76,93)(H,77,99)(H,78,96)(H,79,94)(H,80,98)(H,81,95)(H,82,97)(H4,66,70,83,85,87)(H4,67,71,84,86,88)/t36-,41+,42-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022913
(Ac-DNal-DFpa-DTrp-Ser-Tyr-DArg-Leu-Arg-Pro-Gly-NH2...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |wU:31.34,19.28,4.4,82.87,96.103,wD:37.50,51.63,8.15,63.80,(18.89,-16.23,;17.36,-16.48,;17.11,-18,;16.26,-15.38,;16.65,-13.86,;18.17,-13.47,;19.27,-12.46,;17.75,-11.3,;20.15,-13.44,;19.89,-14.7,;20.76,-15.67,;20.12,-16.81,;21.09,-17.68,;19.99,-18.92,;18.66,-18.75,;20.44,-20.11,;21.38,-12.89,;22.58,-12.37,;23.68,-13.03,;22.84,-11.02,;24.1,-10.59,;24.1,-9.23,;22.93,-8.55,;22.93,-7.22,;24.1,-6.54,;24.1,-5.19,;25.26,-7.22,;25.26,-8.56,;21.61,-10.33,;20.44,-9.65,;19.27,-10.33,;20.44,-8.29,;21.64,-7.62,;21.64,-6.28,;19.27,-7.62,;18.21,-6.8,;16.91,-7.22,;18.59,-5.44,;19.99,-5.12,;20.15,-3.69,;19.08,-2.75,;19.66,-1.46,;21.06,-1.59,;22.09,-.65,;23.45,-1.07,;23.74,-2.46,;22.71,-3.4,;21.35,-2.98,;17.43,-4.56,;16.26,-3.73,;14.81,-4.24,;16.68,-2.23,;18.21,-1.82,;18.37,-.27,;19.76,.39,;19.92,1.94,;18.63,2.85,;18.76,4.4,;17.2,2.19,;17.07,.64,;15.42,-1.33,;14.16,-.4,;14.16,1.13,;12.7,-.95,;11.41,-.06,;11.5,1.49,;12.92,2.17,;13.03,3.72,;11.73,4.6,;11.83,6.15,;10.53,7.01,;9.14,6.33,;9.04,4.78,;10.33,3.91,;10.21,2.35,;12.67,-2.46,;11.31,-3.24,;11.31,-4.79,;9.98,-2.43,;15.55,-12.76,;15.97,-11.25,;14.06,-13.14,;12.51,-13.54,;11.93,-14.99,;12.77,-16.3,;11.83,-17.52,;12.41,-18.94,;11.28,-19.98,;9.76,-19.5,;11.57,-21.44,;11.67,-12.25,;12.25,-10.81,;10.18,-12.59,;9.56,-14,;8.01,-13.84,;7.68,-12.38,;9.01,-11.6,;9.14,-10.07,;10.57,-9.43,;7.88,-9.14,;6.52,-8.16,;6.94,-6.67,;5.68,-5.77,;8.43,-6.16,)| Show InChI InChI=1S/C72H93FN18O13/c1-40(2)31-54(63(97)85-53(16-9-29-80-72(77)78)70(104)91-30-10-17-60(91)69(103)82-38-61(74)95)86-62(96)52(15-8-28-79-71(75)76)84-65(99)56(34-43-21-26-49(94)27-22-43)88-68(102)59(39-92)90-67(101)58(36-47-37-81-51-14-7-6-13-50(47)51)89-66(100)57(33-42-19-24-48(73)25-20-42)87-64(98)55(83-41(3)93)35-44-18-23-45-11-4-5-12-46(45)32-44/h4-7,11-14,18-27,32,37,40,52-60,81,92,94H,8-10,15-17,28-31,33-36,38-39H2,1-3H3,(H2,74,95)(H,82,103)(H,83,93)(H,84,99)(H,85,97)(H,86,96)(H,87,98)(H,88,102)(H,89,100)(H,90,101)(H4,75,76,79)(H4,77,78,80)/t52-,53+,54+,55-,56+,57-,58-,59+,60+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022912
(Ac-DNal-DCpa-DPal-c[Cys-Arg-DPal-Leu-Arg-Pro-Cys]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C67H86ClN19O11S2/c1-37(2)29-48-58(91)80-47(16-9-27-77-67(72)73)65(98)87-28-10-17-53(87)62(95)83-51(56(69)89)35-99-100-36-52(61(94)79-46(15-8-26-76-66(70)71)57(90)85-54(63(96)82-48)43-13-6-24-74-33-43)84-64(97)55(44-14-7-25-75-34-44)86-60(93)50(31-39-19-22-45(68)23-20-39)81-59(92)49(78-38(3)88)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,33-34,37,46-55H,8-10,15-17,26-29,31-32,35-36H2,1-3H3,(H2,69,89)(H,78,88)(H,79,94)(H,80,91)(H,81,92)(H,82,96)(H,83,95)(H,84,97)(H,85,90)(H,86,93)(H4,70,71,76)(H4,72,73,77)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007951
(CHEMBL407482 | pGlu-His-DPal-Ser-Tyr-DArg-Leu-Har(...)Show SMILES CCCCNC(NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:94.99| Show InChI InChI=1S/C63H93N21O13/c1-5-6-23-71-63(73-34-64)72-24-8-7-13-44(61(97)84-26-11-15-50(84)60(96)75-37(4)52(65)88)78-55(91)45(27-36(2)3)79-53(89)42(14-10-25-70-62(66)67)77-56(92)46(28-38-16-18-41(86)19-17-38)81-59(95)49(33-85)83-57(93)47(29-39-12-9-22-68-31-39)80-58(94)48(30-40-32-69-35-74-40)82-54(90)43-20-21-51(87)76-43/h9,12,16-19,22,31-32,35-37,42-50,85-86H,5-8,10-11,13-15,20-21,23-30,33H2,1-4H3,(H2,65,88)(H,69,74)(H,75,96)(H,76,87)(H,77,92)(H,78,91)(H,79,89)(H,80,94)(H,81,95)(H,82,90)(H,83,93)(H4,66,67,70)(H2,71,72,73)/t37-,42-,43+,44+,45+,46+,47-,48+,49+,50+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022920
(Ac-DNal-DCpa-DPal-c[Glu-Arg-DPal-Leu-Arg-Pro-Dpr]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C69H89ClN20O12/c1-38(2)31-50-61(96)84-49(16-9-29-79-69(74)75)67(102)90-30-10-17-54(90)64(99)87-53(58(71)93)37-80-55(92)25-24-48(59(94)82-47(15-8-28-78-68(72)73)60(95)88-57(66(101)86-50)45-14-7-27-77-36-45)83-65(100)56(44-13-6-26-76-35-44)89-63(98)52(33-40-19-22-46(70)23-20-40)85-62(97)51(81-39(3)91)34-41-18-21-42-11-4-5-12-43(42)32-41/h4-7,11-14,18-23,26-27,32,35-36,38,47-54,56-57H,8-10,15-17,24-25,28-31,33-34,37H2,1-3H3,(H2,71,93)(H,80,92)(H,81,91)(H,82,94)(H,83,100)(H,84,96)(H,85,97)(H,86,101)(H,87,99)(H,88,95)(H,89,98)(H4,72,73,78)(H4,74,75,79)/t47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022924
(Ac-DNal-DCpa-DPal-Dpr(Ac)-Arg-DPal-Leu-Arg-Pro-Asn...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CNC(C)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C70H92ClN21O13/c1-38(2)30-51(61(98)85-49(17-10-28-81-70(76)77)68(105)92-29-11-18-55(92)65(102)86-50(59(73)96)34-56(72)95)88-66(103)57(45-14-7-25-78-35-45)90-60(97)48(16-9-27-80-69(74)75)84-64(101)54(37-82-39(3)93)89-67(104)58(46-15-8-26-79-36-46)91-63(100)53(32-41-20-23-47(71)24-21-41)87-62(99)52(83-40(4)94)33-42-19-22-43-12-5-6-13-44(43)31-42/h5-8,12-15,19-26,31,35-36,38,48-55,57-58H,9-11,16-18,27-30,32-34,37H2,1-4H3,(H2,72,95)(H2,73,96)(H,82,93)(H,83,94)(H,84,101)(H,85,98)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,97)(H,91,100)(H4,74,75,80)(H4,76,77,81)/t48-,49-,50-,51-,52-,53-,54-,55-,57-,58-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022926
(Ac-DNal-DCpa-DPal-c[Asp-Arg-DPal-Leu-Arg-Pro-Dpr]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)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](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C68H87ClN20O12/c1-37(2)29-48-59(94)82-47(16-9-27-78-68(73)74)66(101)89-28-10-17-53(89)63(98)86-52(57(70)92)36-79-54(91)33-51(61(96)81-46(15-8-26-77-67(71)72)58(93)87-55(64(99)84-48)43-13-6-24-75-34-43)85-65(100)56(44-14-7-25-76-35-44)88-62(97)50(31-39-19-22-45(69)23-20-39)83-60(95)49(80-38(3)90)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,34-35,37,46-53,55-56H,8-10,15-17,26-29,31-33,36H2,1-3H3,(H2,70,92)(H,79,91)(H,80,90)(H,81,96)(H,82,94)(H,83,95)(H,84,99)(H,85,100)(H,86,98)(H,87,93)(H,88,97)(H4,71,72,77)(H4,73,74,78)/t46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022923
(Ac-DNal-DFpa-DTrp-[Glu-Tyr-DArg-Leu-Arg-Pro-Dpr]-N...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)NC[C@H](NC2=O)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:67.82,81.95,19.20,93.99,8.9,27.28,wD:50.66,57.63,38.39,1.0,(11.71,2.44,;10,3.2,;11.14,4.23,;10.52,5.63,;8.99,5.47,;8.67,3.97,;7.33,3.2,;7.33,1.66,;6,3.97,;6,5.51,;4.67,6.28,;4.67,7.82,;3.33,8.59,;3.33,10.13,;2,10.9,;4.67,10.9,;4.67,3.2,;4.67,1.66,;6,.89,;3.33,.89,;2,1.66,;2,3.2,;.66,3.97,;3.33,3.97,;3.33,-.65,;2,-1.42,;.66,-.65,;2,-2.96,;.66,-2.19,;-.67,-2.96,;-.67,-4.5,;-2,-5.27,;-3.34,-4.5,;-4.67,-5.27,;-3.34,-2.96,;.66,-3.73,;.66,-5.27,;-.67,-6.04,;2,-6.04,;.66,-6.81,;.66,-8.35,;2,-9.12,;2,-10.66,;.66,-11.43,;.66,-12.97,;-.67,-10.66,;-.67,-9.12,;2,-7.58,;3.33,-8.35,;3.33,-9.89,;4.67,-7.58,;4.67,-6.04,;6,-5.27,;6,-3.73,;4.67,-2.96,;7.33,-2.96,;7.33,-1.42,;8.67,-.65,;8.67,.89,;10,1.66,;11.33,.89,;10,-1.42,;11.33,-.65,;10,-2.96,;6,-8.35,;7.33,-7.58,;7.33,-6.04,;8.67,-8.35,;8.67,-9.89,;7.33,-10.66,;5.93,-10.04,;4.9,-11.18,;5.67,-12.52,;5.19,-13.98,;6.22,-15.13,;7.73,-14.81,;8.2,-13.34,;7.17,-12.2,;10,-7.58,;11.33,-8.35,;11.33,-9.89,;12.67,-7.58,;12.67,-6.04,;14,-5.27,;14,-3.73,;15.34,-2.96,;16.67,-3.73,;18,-2.96,;16.67,-5.27,;15.34,-6.04,;14,-8.35,;15.34,-7.58,;16.24,-6.34,;16.67,-8.35,;16.67,-9.89,;18,-7.58,;19.34,-8.35,;19.34,-9.89,;20.67,-10.66,;22,-9.89,;23.34,-10.66,;24.67,-9.89,;24.67,-8.35,;23.34,-7.58,;22,-8.35,;20.67,-7.58,)| Show InChI InChI=1S/C73H94FN19O12/c1-40(2)32-55-66(100)87-54(15-8-30-82-73(79)80)71(105)93-31-9-16-60(93)70(104)92-59(62(76)96)39-84-61(95)28-27-53(65(99)90-57(36-42-20-25-48(94)26-21-42)67(101)85-52(64(98)89-55)14-7-29-81-72(77)78)86-69(103)58(37-46-38-83-51-13-6-5-12-49(46)51)91-68(102)56(35-41-18-23-47(74)24-19-41)88-63(97)50(75)34-43-17-22-44-10-3-4-11-45(44)33-43/h3-6,10-13,17-26,33,38,40,50,52-60,83,94H,7-9,14-16,27-32,34-37,39,75H2,1-2H3,(H2,76,96)(H,84,95)(H,85,101)(H,86,103)(H,87,100)(H,88,97)(H,89,98)(H,90,99)(H,91,102)(H,92,104)(H4,77,78,81)(H4,79,80,82)/t50-,52-,53+,54+,55+,56-,57+,58+,59+,60+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007950
(CHEMBL439359 | pGlu-His-Trp-Ser-Har(chCN)-DHar(chC...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(NC1CCCCC1)=NC#N)NC(=O)[C@H](CCCCNC(NC1CCCCC1)=NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |w:42.44,22.23| Show InChI InChI=1S/C76H117N23O12/c1-46(2)37-59(69(106)94-58(29-16-17-33-81-47(3)4)74(111)99-36-20-30-63(99)73(110)88-48(5)65(79)102)95-67(104)56(28-15-19-35-83-76(86-44-78)90-51-23-10-7-11-24-51)92-66(103)55(27-14-18-34-82-75(85-43-77)89-50-21-8-6-9-22-50)93-72(109)62(42-100)98-70(107)60(38-49-40-84-54-26-13-12-25-53(49)54)96-71(108)61(39-52-41-80-45-87-52)97-68(105)57-31-32-64(101)91-57/h12-13,25-26,40-41,45-48,50-51,55-63,81,84,100H,6-11,14-24,27-39,42H2,1-5H3,(H2,79,102)(H,80,87)(H,88,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,85,89)(H2,83,86,90)/t48-,55+,56-,57+,58+,59+,60+,61+,62+,63+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007954
(CHEMBL407023 | pGlu-His-DHar(bCN)-Ser-Tyr-DArg-Leu...)Show SMILES CCCCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:95.99| Show InChI InChI=1S/C64H103N21O13/c1-7-8-25-72-64(74-35-65)73-27-12-9-15-43(78-59(95)49(32-41-33-69-36-75-41)83-56(92)45-23-24-52(88)77-45)55(91)84-50(34-86)60(96)82-48(31-40-19-21-42(87)22-20-40)58(94)79-44(17-13-28-71-63(67)68)54(90)81-47(30-37(2)3)57(93)80-46(16-10-11-26-70-38(4)5)62(98)85-29-14-18-51(85)61(97)76-39(6)53(66)89/h19-22,33,36-39,43-51,70,86-87H,7-18,23-32,34H2,1-6H3,(H2,66,89)(H,69,75)(H,76,97)(H,77,88)(H,78,95)(H,79,94)(H,80,93)(H,81,90)(H,82,96)(H,83,92)(H,84,91)(H4,67,68,71)(H2,72,73,74)/t39-,43-,44-,45+,46+,47+,48+,49+,50+,51+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007949
(CHEMBL411586 | pGlu-His-Trp-Ser-Har(bCN)-DHar(bCN)...)Show SMILES CCCCNC(NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCCNC(NCCCC)=NC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:104.109,66.70| Show InChI InChI=1S/C72H113N23O12/c1-8-10-29-78-71(83-41-73)80-32-18-14-23-51(89-68(105)58(40-96)94-66(103)56(36-47-38-82-50-22-13-12-21-49(47)50)92-67(104)57(37-48-39-76-43-85-48)93-64(101)53-27-28-60(97)87-53)62(99)88-52(24-15-19-33-81-72(84-42-74)79-30-11-9-2)63(100)91-55(35-44(3)4)65(102)90-54(25-16-17-31-77-45(5)6)70(107)95-34-20-26-59(95)69(106)86-46(7)61(75)98/h12-13,21-22,38-39,43-46,51-59,77,82,96H,8-11,14-20,23-37,40H2,1-7H3,(H2,75,98)(H,76,85)(H,86,106)(H,87,97)(H,88,99)(H,89,105)(H,90,102)(H,91,100)(H,92,104)(H,93,101)(H,94,103)(H2,78,80,83)(H2,79,81,84)/t46-,51+,52-,53+,54+,55+,56+,57+,58+,59+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007948
(CHEMBL412802 | pGlu-His-DPal-Ser-Tyr-DHar(bCN)-Leu...)Show SMILES CCCCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:92.97| Show InChI InChI=1S/C63H93N19O13/c1-5-6-25-69-63(71-35-65)70-26-10-8-14-43(54(87)77-46(28-37(2)3)56(89)76-45(15-7-9-23-64)62(95)82-27-12-16-51(82)61(94)73-38(4)53(66)86)75-57(90)47(29-39-17-19-42(84)20-18-39)79-60(93)50(34-83)81-58(91)48(30-40-13-11-24-67-32-40)78-59(92)49(31-41-33-68-36-72-41)80-55(88)44-21-22-52(85)74-44/h11,13,17-20,24,32-33,36-38,43-51,83-84H,5-10,12,14-16,21-23,25-31,34,64H2,1-4H3,(H2,66,86)(H,68,72)(H,73,94)(H,74,85)(H,75,90)(H,76,89)(H,77,87)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H2,69,70,71)/t38-,43-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022914
(Ac-DNal-DFpa-DTrp-[Dpr-Tyr-DArg-Leu-Arg-Pro-Asp]-N...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)NC[C@H](NC2=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:80.94,56.62,19.20,92.98,8.9,27.28,wD:50.65,66.81,38.39,1.0,(-10.63,7.13,;-11.56,5.52,;-12.59,6.66,;-14,6.04,;-13.84,4.51,;-12.33,4.18,;-11.3,3.04,;-9.87,3.62,;-11.23,1.36,;-12.54,.56,;-12.51,-.98,;-13.83,-1.78,;-13.79,-3.32,;-15.11,-4.12,;-15.08,-5.66,;-16.46,-3.38,;-9.89,.59,;-8.56,1.36,;-8.56,2.9,;-7.23,.59,;-7.23,-.95,;-8.56,-1.72,;-8.56,-3.26,;-9.89,-.95,;-5.89,1.36,;-4.56,.59,;-4.56,-.95,;-3.22,1.36,;-3.22,-.18,;-1.89,-.95,;-.56,-.18,;.78,-.95,;.78,-2.49,;2.11,-3.26,;-.56,-3.26,;-1.89,.59,;-.56,1.36,;.78,.59,;-.56,2.9,;.78,2.13,;2.11,2.9,;2.11,4.44,;3.44,5.21,;4.78,4.44,;6.11,5.21,;4.78,2.9,;3.44,2.13,;.78,3.67,;.78,5.21,;2.11,5.98,;-.56,5.98,;-1.89,5.21,;-3.22,5.98,;-3.22,7.52,;-4.56,5.21,;-5.89,5.98,;-7.23,5.21,;-8.56,5.98,;-10.05,5.2,;-9.38,3.81,;-7.23,6.75,;-5.89,7.52,;-8.56,7.52,;-.56,7.52,;.78,8.29,;.78,9.83,;2.11,7.52,;2.57,6.44,;3.91,4.74,;3.49,3.26,;4.61,2.25,;5.98,3.36,;7.49,3.1,;8.48,4.28,;7.95,5.73,;6.43,5.99,;5.44,4.8,;3.44,8.29,;4.78,7.52,;4.78,5.98,;6.11,8.29,;6.11,9.83,;4.78,10.6,;3.44,9.83,;2.11,10.6,;2.11,12.14,;.78,12.91,;3.44,12.91,;4.78,12.14,;7.44,7.52,;8.78,8.29,;8.78,9.83,;10.11,7.52,;10.11,5.98,;11.45,8.29,;12.78,7.52,;12.78,5.98,;14.11,5.21,;15.45,5.98,;16.78,5.21,;18.11,5.98,;18.11,7.52,;16.78,8.29,;15.45,7.52,;14.11,8.29,)| Show InChI InChI=1S/C72H92FN19O12/c1-39(2)30-53-64(98)85-52(15-8-28-81-72(78)79)70(104)92-29-9-16-59(92)69(103)91-58(61(75)95)38-83-60(94)36-57(68(102)88-55(34-41-20-25-47(93)26-21-41)65(99)84-51(63(97)87-53)14-7-27-80-71(76)77)90-67(101)56(35-45-37-82-50-13-6-5-12-48(45)50)89-66(100)54(33-40-18-23-46(73)24-19-40)86-62(96)49(74)32-42-17-22-43-10-3-4-11-44(43)31-42/h3-6,10-13,17-26,31,37,39,49,51-59,82,93H,7-9,14-16,27-30,32-36,38,74H2,1-2H3,(H2,75,95)(H,83,94)(H,84,99)(H,85,98)(H,86,96)(H,87,97)(H,88,102)(H,89,100)(H,90,101)(H,91,103)(H4,76,77,80)(H4,78,79,81)/t49-,51-,52+,53+,54-,55+,56-,57+,58+,59+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007946
(CHEMBL428837 | pGlu-His-Trp-Ser-Arg(bCN)-DArg(bCN)...)Show SMILES CCCCNC(NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(NCCCC)=NC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:102.107,64.68| Show InChI InChI=1S/C70H109N23O12/c1-8-10-27-76-69(81-39-71)78-30-16-22-49(87-66(103)56(38-94)92-64(101)54(34-45-36-80-48-20-13-12-19-47(45)48)90-65(102)55(35-46-37-74-41-83-46)91-62(99)51-25-26-58(95)85-51)60(97)86-50(23-17-31-79-70(82-40-72)77-28-11-9-2)61(98)89-53(33-42(3)4)63(100)88-52(21-14-15-29-75-43(5)6)68(105)93-32-18-24-57(93)67(104)84-44(7)59(73)96/h12-13,19-20,36-37,41-44,49-57,75,80,94H,8-11,14-18,21-35,38H2,1-7H3,(H2,73,96)(H,74,83)(H,84,104)(H,85,95)(H,86,97)(H,87,103)(H,88,100)(H,89,98)(H,90,102)(H,91,99)(H,92,101)(H2,76,78,81)(H2,77,79,82)/t44-,49+,50-,51+,52+,53+,54+,55+,56+,57+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50007956
(CHEMBL265522 | pGlu-His-Trp-Ser-Har(hCN)-DHar(hCN)...)Show SMILES CCCCCCNC(NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCCCNC(NCCCCCC)=NC#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:108.113,70.74| Show InChI InChI=1S/C76H121N23O12/c1-8-10-12-19-34-82-75(87-45-77)84-36-22-16-27-55(93-72(109)62(44-100)98-70(107)60(40-51-42-86-54-26-15-14-25-53(51)54)96-71(108)61(41-52-43-80-47-89-52)97-68(105)57-31-32-64(101)91-57)66(103)92-56(28-17-23-37-85-76(88-46-78)83-35-20-13-11-9-2)67(104)95-59(39-48(3)4)69(106)94-58(29-18-21-33-81-49(5)6)74(111)99-38-24-30-63(99)73(110)90-50(7)65(79)102/h14-15,25-26,42-43,47-50,55-63,81,86,100H,8-13,16-24,27-41,44H2,1-7H3,(H2,79,102)(H,80,89)(H,90,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,84,87)(H2,83,85,88)/t50-,55+,56-,57+,58+,59+,60+,61+,62+,63+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes |
J Med Chem 34: 2395-402 (1991)
BindingDB Entry DOI: 10.7270/Q2SX6C54 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022922
(Ac-DNal-DCpa-DPal-c[Dpr-Arg-DPal-Leu-Arg-Pro-Asp]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CNC(=O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C68H87ClN20O12/c1-37(2)29-49-59(94)82-47(16-9-27-78-68(73)74)66(101)89-28-10-17-53(89)63(98)83-48(57(70)92)33-54(91)79-36-52(62(97)81-46(15-8-26-77-67(71)72)58(93)87-55(64(99)85-49)43-13-6-24-75-34-43)86-65(100)56(44-14-7-25-76-35-44)88-61(96)51(31-39-19-22-45(69)23-20-39)84-60(95)50(80-38(3)90)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,34-35,37,46-53,55-56H,8-10,15-17,26-29,31-33,36H2,1-3H3,(H2,70,92)(H,79,91)(H,80,90)(H,81,97)(H,82,94)(H,83,98)(H,84,95)(H,85,99)(H,86,100)(H,87,93)(H,88,96)(H4,71,72,77)(H4,73,74,78)/t46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022922
(Ac-DNal-DCpa-DPal-c[Dpr-Arg-DPal-Leu-Arg-Pro-Asp]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CNC(=O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C68H87ClN20O12/c1-37(2)29-49-59(94)82-47(16-9-27-78-68(73)74)66(101)89-28-10-17-53(89)63(98)83-48(57(70)92)33-54(91)79-36-52(62(97)81-46(15-8-26-77-67(71)72)58(93)87-55(64(99)85-49)43-13-6-24-75-34-43)86-65(100)56(44-14-7-25-76-35-44)88-61(96)51(31-39-19-22-45(69)23-20-39)84-60(95)50(80-38(3)90)32-40-18-21-41-11-4-5-12-42(41)30-40/h4-7,11-14,18-25,30,34-35,37,46-53,55-56H,8-10,15-17,26-29,31-33,36H2,1-3H3,(H2,70,92)(H,79,91)(H,80,90)(H,81,97)(H,82,94)(H,83,98)(H,84,95)(H,85,99)(H,86,100)(H,87,93)(H,88,96)(H4,71,72,77)(H4,73,74,78)/t46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022917
(Ac-DNal-DFpa-DTrp-[Cys-Tyr-DArg-Leu-Arg-Pro-Cys]-N...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC2=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:79.93,55.61,19.20,91.97,8.9,27.28,wD:50.64,65.80,38.39,1.0,(2.69,9.22,;1.76,10.83,;3.27,11.15,;3.43,12.69,;2.02,13.31,;.99,12.17,;-.52,11.85,;-.73,10.32,;-2.01,12.63,;-2.05,14.17,;-3.4,14.91,;-3.43,16.45,;-4.78,17.19,;-4.81,18.73,;-6.16,19.47,;-3.5,19.53,;-3.35,11.86,;-3.35,10.32,;-2.01,9.55,;-4.68,9.55,;-6.01,10.32,;-6.01,11.86,;-7.35,12.63,;-4.68,12.63,;-4.68,8.01,;-6.01,7.24,;-7.35,8.01,;-6.01,5.7,;-7.35,6.47,;-8.68,5.7,;-8.68,4.16,;-10.01,3.39,;-11.35,4.16,;-12.68,3.39,;-11.35,5.7,;-7.35,4.93,;-7.35,3.39,;-8.68,2.62,;-6.01,2.62,;-7.35,1.85,;-7.35,.31,;-6.01,-.46,;-6.01,-2,;-7.35,-2.77,;-7.35,-4.31,;-8.68,-2,;-8.68,-.46,;-6.01,1.08,;-4.68,.31,;-4.68,-1.23,;-3.35,1.08,;-3.35,2.62,;-2.01,3.39,;-2.01,4.93,;-.68,5.7,;-.68,7.24,;.66,8.01,;.73,9.69,;-.81,9.8,;.66,6.47,;1.99,7.24,;.66,4.93,;-2.01,.31,;-.68,1.08,;-.68,2.62,;.66,.31,;.66,-1.23,;-.68,-2,;-2.09,-1.38,;-3.12,-2.52,;-2.35,-3.86,;-2.82,-5.32,;-1.79,-6.46,;-.28,-6.14,;.19,-4.68,;-.84,-3.54,;1.99,1.08,;3.32,.31,;3.32,-1.23,;4.66,1.08,;4.66,2.62,;5.99,3.39,;5.99,4.93,;7.32,5.7,;8.66,4.93,;9.99,5.7,;8.66,3.39,;7.32,2.62,;5.99,.31,;7.32,1.08,;8.23,2.32,;8.66,.31,;8.66,-1.23,;9.99,1.08,;11.32,.31,;11.32,-1.23,;12.66,-2,;13.99,-1.23,;15.33,-2,;16.66,-1.23,;16.66,.31,;15.33,1.08,;13.99,.31,;12.66,1.08,)| Show InChI InChI=1S/C71H91FN18O11S2/c1-39(2)30-53-63(95)83-52(15-8-28-80-71(77)78)69(101)90-29-9-16-59(90)68(100)88-57(60(74)92)37-102-103-38-58(67(99)86-55(34-41-20-25-47(91)26-21-41)64(96)82-51(62(94)85-53)14-7-27-79-70(75)76)89-66(98)56(35-45-36-81-50-13-6-5-12-48(45)50)87-65(97)54(33-40-18-23-46(72)24-19-40)84-61(93)49(73)32-42-17-22-43-10-3-4-11-44(43)31-42/h3-6,10-13,17-26,31,36,39,49,51-59,81,91H,7-9,14-16,27-30,32-35,37-38,73H2,1-2H3,(H2,74,92)(H,82,96)(H,83,95)(H,84,93)(H,85,94)(H,86,99)(H,87,97)(H,88,100)(H,89,98)(H4,75,76,79)(H4,77,78,80)/t49-,51-,52+,53+,54-,55+,56-,57+,58+,59+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022919
(Ac-DNal-DFpa-DTrp-[Asp-Tyr-DArg-Leu-Arg-Pro-Dpr]-N...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CNC(=O)C[C@H](NC2=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:80.94,56.62,19.20,92.98,8.9,27.28,wD:50.65,66.81,38.39,1.0,(2.81,9.26,;1.87,10.87,;3.38,11.19,;3.54,12.73,;2.13,13.35,;1.1,12.21,;-.4,11.89,;-.61,10.36,;-1.9,12.67,;-1.93,14.21,;-3.28,14.95,;-3.32,16.49,;-4.67,17.23,;-4.7,18.77,;-6.05,19.51,;-3.38,19.57,;-3.23,11.9,;-3.23,10.36,;-1.9,9.59,;-4.57,9.59,;-5.9,10.36,;-5.9,11.9,;-7.23,12.67,;-4.57,12.67,;-4.57,8.05,;-5.9,7.28,;-7.23,8.05,;-5.9,5.74,;-7.23,6.51,;-8.57,5.74,;-8.57,4.2,;-9.9,3.43,;-11.23,4.2,;-12.57,3.43,;-11.23,5.74,;-7.23,4.97,;-7.23,3.43,;-8.57,2.66,;-5.9,2.66,;-7.23,1.89,;-7.23,.35,;-5.9,-.42,;-5.9,-1.96,;-7.23,-2.73,;-7.23,-4.27,;-8.57,-1.96,;-8.57,-.42,;-5.9,1.12,;-4.57,.35,;-4.57,-1.19,;-3.23,1.12,;-3.23,2.66,;-1.9,3.43,;-1.9,4.97,;-3.23,5.74,;-.57,5.74,;-.57,7.28,;.77,8.05,;.84,9.73,;-.69,9.84,;.77,6.51,;2.1,7.28,;.77,4.97,;-1.9,.35,;-.57,1.12,;-.57,2.66,;.77,.35,;.77,-1.19,;-.57,-1.96,;-1.97,-1.34,;-3,-2.48,;-2.23,-3.82,;-2.71,-5.28,;-1.68,-6.42,;-.17,-6.1,;.3,-4.64,;-.73,-3.49,;2.1,1.12,;3.44,.35,;3.44,-1.19,;4.77,1.12,;4.77,2.66,;6.1,3.43,;6.1,4.97,;7.44,5.74,;8.77,4.97,;10.1,5.74,;8.77,3.43,;7.44,2.66,;6.1,.35,;7.44,1.12,;8.34,2.36,;8.77,.35,;8.77,-1.19,;10.1,1.12,;11.44,.35,;11.44,-1.19,;12.77,-1.96,;14.11,-1.19,;15.44,-1.96,;16.77,-1.19,;16.77,.35,;15.44,1.12,;14.11,.35,;12.77,1.12,)| Show InChI InChI=1S/C72H92FN19O12/c1-39(2)30-54-64(98)85-52(15-8-28-81-72(78)79)70(104)92-29-9-16-59(92)69(103)86-53(61(75)95)36-60(94)83-38-58(68(102)89-56(34-41-20-25-47(93)26-21-41)65(99)84-51(63(97)88-54)14-7-27-80-71(76)77)91-67(101)57(35-45-37-82-50-13-6-5-12-48(45)50)90-66(100)55(33-40-18-23-46(73)24-19-40)87-62(96)49(74)32-42-17-22-43-10-3-4-11-44(43)31-42/h3-6,10-13,17-26,31,37,39,49,51-59,82,93H,7-9,14-16,27-30,32-36,38,74H2,1-2H3,(H2,75,95)(H,83,94)(H,84,99)(H,85,98)(H,86,103)(H,87,96)(H,88,97)(H,89,102)(H,90,100)(H,91,101)(H4,76,77,80)(H4,78,79,81)/t49-,51-,52+,53+,54+,55-,56+,57-,58+,59+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022921
(Ac-DNal-DCpa-DPal-c[Asp-Arg-DPal-Leu-Arg-Pro-Orn]-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C70H91ClN20O12/c1-39(2)32-51-61(96)85-50(18-10-30-81-70(75)76)68(103)91-31-11-19-55(91)65(100)83-48(59(72)94)16-8-28-79-56(93)36-54(63(98)84-49(17-9-29-80-69(73)74)60(95)89-57(66(101)87-51)45-14-6-26-77-37-45)88-67(102)58(46-15-7-27-78-38-46)90-64(99)53(34-41-21-24-47(71)25-22-41)86-62(97)52(82-40(3)92)35-42-20-23-43-12-4-5-13-44(43)33-42/h4-7,12-15,20-27,33,37-39,48-55,57-58H,8-11,16-19,28-32,34-36H2,1-3H3,(H2,72,94)(H,79,93)(H,82,92)(H,83,100)(H,84,98)(H,85,96)(H,86,97)(H,87,101)(H,88,102)(H,89,95)(H,90,99)(H4,73,74,80)(H4,75,76,81)/t48-,49-,50-,51-,52-,53-,54-,55-,57-,58-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022925
(Ac-DNal-DFpa-DTrp-[Asp-Tyr-DArg-Leu-Arg-Pro-Orn]-N...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)NCCC[C@H](NC2=O)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 |wU:50.67,82.96,58.64,38.39,19.20,94.100,8.9,27.28,wD:68.83,1.0,(-14.63,-.58,;-16.5,-.58,;-16.02,.89,;-17.27,1.79,;-18.52,.89,;-18.04,-.58,;-18.52,-2.04,;-17.3,-2.99,;-19.94,-2.95,;-21.29,-2.21,;-22.6,-3.01,;-23.95,-2.27,;-25.27,-3.06,;-26.62,-2.32,;-27.94,-3.12,;-26.65,-.78,;-19.94,-4.49,;-18.6,-5.26,;-17.27,-4.49,;-18.6,-6.8,;-19.94,-7.57,;-21.27,-6.8,;-22.6,-7.57,;-21.27,-5.26,;-17.27,-7.57,;-17.27,-9.11,;-18.6,-9.88,;-15.94,-9.88,;-17.44,-10.2,;-17.92,-11.66,;-16.89,-12.81,;-17.36,-14.27,;-18.87,-14.59,;-19.35,-16.06,;-19.9,-13.45,;-15.94,-11.42,;-14.6,-12.19,;-13.27,-11.42,;-14.6,-13.73,;-15.94,-14.5,;-15.94,-16.04,;-14.6,-16.81,;-14.6,-18.35,;-15.94,-19.12,;-15.94,-20.66,;-17.27,-18.35,;-17.27,-16.81,;-13.27,-14.5,;-11.94,-13.73,;-10.6,-14.5,;-11.94,-12.19,;-10.6,-11.42,;-10.6,-9.88,;-9.27,-9.11,;-11.94,-9.11,;-11.94,-7.57,;-13.27,-6.8,;-13.27,-5.26,;-14.6,-4.49,;-14.6,-2.95,;-16.02,-2.04,;-16.89,-3.32,;-13.27,-3.72,;-13.27,-2.18,;-11.94,-4.49,;-10.6,-12.96,;-9.27,-12.19,;-9.27,-10.65,;-7.93,-12.96,;-7.93,-14.5,;-6.6,-15.27,;-5.19,-14.64,;-4.16,-15.79,;-4.93,-17.12,;-4.46,-18.59,;-5.49,-19.73,;-6.99,-19.41,;-7.47,-17.95,;-6.44,-16.8,;-6.6,-12.19,;-5.27,-12.96,;-4.36,-14.2,;-3.93,-12.19,;-3.93,-10.65,;-5.27,-9.88,;-6.6,-10.65,;-7.93,-9.88,;-7.93,-8.34,;-9.27,-7.57,;-6.6,-7.57,;-5.27,-8.34,;-2.6,-12.96,;-1.27,-12.19,;-1.27,-10.65,;.07,-12.96,;.07,-14.5,;1.4,-12.19,;2.74,-12.96,;2.74,-14.5,;4.07,-15.27,;5.4,-14.5,;6.74,-15.27,;8.07,-14.5,;8.07,-12.96,;6.74,-12.19,;5.4,-12.96,;4.07,-12.19,)| Show InChI InChI=1S/C74H96FN19O12/c1-41(2)33-56-66(100)88-55(17-9-31-84-74(80)81)72(106)94-32-10-18-61(94)71(105)86-53(63(77)97)15-7-29-82-62(96)39-60(70(104)91-58(37-43-22-27-49(95)28-23-43)67(101)87-54(65(99)90-56)16-8-30-83-73(78)79)93-69(103)59(38-47-40-85-52-14-6-5-13-50(47)52)92-68(102)57(36-42-20-25-48(75)26-21-42)89-64(98)51(76)35-44-19-24-45-11-3-4-12-46(45)34-44/h3-6,11-14,19-28,34,40-41,51,53-61,85,95H,7-10,15-18,29-33,35-39,76H2,1-2H3,(H2,77,97)(H,82,96)(H,86,105)(H,87,101)(H,88,100)(H,89,98)(H,90,99)(H,91,104)(H,92,102)(H,93,103)(H4,78,79,83)(H4,80,81,84)/t51-,53+,54-,55+,56+,57-,58+,59-,60+,61+/m1/s1 | KEGG
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UniChem
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| n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50022915
(Ala-Phe-Trp-Ser-Tyr-Arg-Leu-Arg-Asp-Gly | CHEMBL26...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C69H88FN19O12/c1-37(2)27-51-63(97)82-50(14-8-26-78-69(75)76)62(96)88-55(60(94)81-36-57(72)91)33-58(92)80-35-56(67(101)86-53(31-39-18-23-45(90)24-19-39)64(98)83-49(61(95)85-51)13-7-25-77-68(73)74)89-66(100)54(32-43-34-79-48-12-6-5-11-46(43)48)87-65(99)52(30-38-16-21-44(70)22-17-38)84-59(93)47(71)29-40-15-20-41-9-3-4-10-42(41)28-40/h3-6,9-12,15-24,28,34,37,47,49-56,79,90H,7-8,13-14,25-27,29-33,35-36,71H2,1-2H3,(H2,72,91)(H,80,92)(H,81,94)(H,82,97)(H,83,98)(H,84,93)(H,85,95)(H,86,101)(H,87,99)(H,88,96)(H,89,100)(H4,73,74,77)(H4,75,76,78)/t47-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description
Inhibitory binding constant for Gonadotropin-releasing hormone receptor |
J Med Chem 31: 677-82 (1988)
BindingDB Entry DOI: 10.7270/Q2D21WM7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | KEGG
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| n/a | n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli |
J Med Chem 32: 2036-8 (1989)
BindingDB Entry DOI: 10.7270/Q2542MJX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | KEGG
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at Leutinizing releasing hormone receptor in rat pituitary using [125I]-leuprolide as radioligand |
J Med Chem 32: 2036-8 (1989)
BindingDB Entry DOI: 10.7270/Q2542MJX |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | KEGG
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CHEMBL
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| n/a | n/a | n/a | 811 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2036-8 (1989)
BindingDB Entry DOI: 10.7270/Q2542MJX |
More data for this
Ligand-Target Pair | |
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