Found 224 hits with Last Name = 'broqua' and Initial = 'p' 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 |
|---|
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50290967
(1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| Article
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of binding of [3H]-U-69,593 to cloned rat Opioid receptor kappa 1 expressed in CHO cell line |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50088375
(1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methy...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23| Show InChI InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of binding of [3H]-U-69,593 to cloned rat Opioid receptor kappa 1 expressed in CHO cell line |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50290967
(1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1 | PDB
Reactome pathway
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of binding of [3H]-DAGO to rat brain mu opioid receptor |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50088375
(1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methy...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23| Show InChI InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of binding of [3H]-DAGO to rat brain mu opioid receptor |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102443
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Cbm)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C78H100ClN17O14/c1-44(2)35-59(68(100)89-58(16-9-10-33-84-45(3)4)76(108)96-34-12-17-66(96)75(107)85-46(5)67(80)99)90-70(102)62(38-49-21-28-56(29-22-49)87-77(81)109)92-72(104)63(39-50-23-30-57(31-24-50)88-78(82)110)94-74(106)65(43-97)95-73(105)64(41-52-13-11-32-83-42-52)93-71(103)61(37-48-19-26-55(79)27-20-48)91-69(101)60(86-47(6)98)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,84,97H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,80,99)(H,85,107)(H,86,98)(H,89,100)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H,94,106)(H,95,105)(H3,81,87,109)(H3,82,88,110)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1 | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102449
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-Pal-L...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C80H100ClN17O15/c1-45(2)34-59(71(104)89-58(18-9-10-32-85-46(3)4)79(112)98-33-13-19-67(98)78(111)86-47(5)69(82)102)90-75(108)63(39-52-14-11-30-83-42-52)92-74(107)62(37-50-23-28-57(29-24-50)88-70(103)65-41-68(101)97-80(113)96-65)94-77(110)66(44-99)95-76(109)64(40-53-15-12-31-84-43-53)93-73(106)61(36-49-21-26-56(81)27-22-49)91-72(105)60(87-48(6)100)38-51-20-25-54-16-7-8-17-55(54)35-51/h7-8,11-12,14-17,20-31,35,42-43,45-47,58-67,85,99H,9-10,13,18-19,32-34,36-41,44H2,1-6H3,(H2,82,102)(H,86,111)(H,87,100)(H,88,103)(H,89,104)(H,90,108)(H,91,105)(H,92,107)(H,93,106)(H,94,110)(H,95,109)(H2,96,97,101,113)/t47-,58+,59+,60-,61-,62+,63-,64-,65-,66+,67+/m1/s1 | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102466
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102451
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-Arg-D-Glu(Nal)-Leu...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)NC(Cc1ccc2ccccc2c1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H108ClN17O15/c1-47(2)38-63(74(107)95-62(21-11-12-35-88-48(3)4)80(113)100-37-15-23-69(100)79(112)90-49(5)71(84)104)96-73(106)61(32-33-70(103)92-67(81(114)115)43-53-25-29-56-18-8-10-20-58(56)40-53)94-72(105)60(22-14-36-89-82(85)86)93-78(111)68(46-101)99-77(110)66(44-54-16-13-34-87-45-54)98-76(109)65(41-51-26-30-59(83)31-27-51)97-75(108)64(91-50(6)102)42-52-24-28-55-17-7-9-19-57(55)39-52/h7-10,13,16-20,24-31,34,39-40,45,47-49,60-69,88,101H,11-12,14-15,21-23,32-33,35-38,41-44,46H2,1-6H3,(H2,84,104)(H,90,112)(H,91,102)(H,92,103)(H,93,111)(H,94,105)(H,95,107)(H,96,106)(H,97,108)(H,98,109)(H,99,110)(H,114,115)(H4,85,86,89)/t49-,60+,61-,62+,63+,64-,65-,66-,67?,68+,69+/m1/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102442
(ABARELIX | Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nalpha...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1 | PDB
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PC cid
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102454
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-Tyr-D-Har(Et2)-Leu...)Show SMILES CCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(NCC)=NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NCC |w:91.96,109.115| Show InChI InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1 | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50369965
(CETRORELIX | Cetrotide)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1 | PDB
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Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102435
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H104ClN17O16/c1-46(2)36-62(74(108)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-76(110)65(39-52-22-29-59(30-23-52)89-49(6)103)95-78(112)66(40-53-24-31-60(32-25-53)91-73(107)68-43-71(105)100-83(117)99-68)97-80(114)69(45-102)98-79(113)67(42-55-14-12-33-86-44-55)96-77(111)64(38-51-20-27-58(84)28-21-51)94-75(109)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,46-48,61-70,87,102H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,99,100,105,117)/t48-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102446
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(EtCbm)]-D-[Ap...)Show SMILES CCNC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(=O)NCC)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1 Show InChI InChI=1S/C82H108ClN17O14/c1-9-86-81(113)91-60-32-25-53(26-33-60)42-66(74(106)94-63(39-48(3)4)72(104)93-62(20-13-14-37-88-49(5)6)80(112)100-38-16-21-70(100)79(111)89-50(7)71(84)103)96-76(108)67(43-54-27-34-61(35-28-54)92-82(114)87-10-2)98-78(110)69(47-101)99-77(109)68(45-56-17-15-36-85-46-56)97-75(107)65(41-52-23-30-59(83)31-24-52)95-73(105)64(90-51(8)102)44-55-22-29-57-18-11-12-19-58(57)40-55/h11-12,15,17-19,22-36,40,46,48-50,62-70,88,101H,9-10,13-14,16,20-21,37-39,41-45,47H2,1-8H3,(H2,84,103)(H,89,111)(H,90,102)(H,93,104)(H,94,106)(H,95,105)(H,96,108)(H,97,107)(H,98,110)(H,99,109)(H2,86,91,113)(H2,87,92,114)/t50-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102448
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CO Show InChI InChI=1S/C83H106ClN17O16/c1-47(2)35-62(73(107)92-61(16-9-10-33-87-48(3)4)81(115)101-34-12-17-70(101)80(114)89-49(5)45-102)93-75(109)64(37-51-18-20-54(21-19-51)44-88-82(85)116)95-77(111)66(39-53-25-30-60(31-26-53)91-72(106)68-42-71(105)100-83(117)99-68)97-79(113)69(46-103)98-78(112)67(41-56-13-11-32-86-43-56)96-76(110)65(38-52-23-28-59(84)29-24-52)94-74(108)63(90-50(6)104)40-55-22-27-57-14-7-8-15-58(57)36-55/h7-8,11,13-15,18-32,36,43,47-49,61-70,87,102-103H,9-10,12,16-17,33-35,37-42,44-46H2,1-6H3,(H,89,114)(H,90,104)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,88,116)(H2,99,100,105,117)/t49-,61-,62-,63+,64+,65+,66-,67+,68-,69-,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102441
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H105ClN18O16/c1-46(2)35-61(73(108)93-60(16-9-10-33-88-47(3)4)81(116)102-34-12-17-69(102)80(115)90-48(5)71(85)106)94-75(110)63(37-50-18-20-53(21-19-50)44-89-82(86)117)96-77(112)65(39-52-25-30-59(31-26-52)92-72(107)67-42-70(105)101-83(118)100-67)98-79(114)68(45-103)99-78(113)66(41-55-13-11-32-87-43-55)97-76(111)64(38-51-23-28-58(84)29-24-51)95-74(109)62(91-49(6)104)40-54-22-27-56-14-7-8-15-57(56)36-54/h7-8,11,13-15,18-32,36,43,46-48,60-69,88,103H,9-10,12,16-17,33-35,37-42,44-45H2,1-6H3,(H2,85,106)(H,90,115)(H,91,104)(H,92,107)(H,93,108)(H,94,110)(H,95,109)(H,96,112)(H,97,111)(H,98,114)(H,99,113)(H3,86,89,117)(H2,100,101,105,118)/t48-,60+,61+,62-,63-,64-,65+,66-,67-,68+,69+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102445
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-Cit-L...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C78H103ClN18O16/c1-43(2)34-57(69(104)89-56(17-9-10-31-83-44(3)4)76(111)97-33-13-19-64(97)75(110)85-45(5)66(80)101)90-67(102)55(18-12-32-84-77(81)112)88-71(106)59(37-48-23-28-54(29-24-48)87-68(103)62-40-65(100)96-78(113)95-62)93-74(109)63(42-98)94-73(108)61(39-50-14-11-30-82-41-50)92-72(107)60(36-47-21-26-53(79)27-22-47)91-70(105)58(86-46(6)99)38-49-20-25-51-15-7-8-16-52(51)35-49/h7-8,11,14-16,20-30,35,41,43-45,55-64,83,98H,9-10,12-13,17-19,31-34,36-40,42H2,1-6H3,(H2,80,101)(H,85,110)(H,86,99)(H,87,103)(H,88,106)(H,89,104)(H,90,102)(H,91,105)(H,92,107)(H,93,109)(H,94,108)(H3,81,84,112)(H2,95,96,100,113)/t45-,55-,56+,57+,58-,59+,60-,61-,62-,63+,64+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102434
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Aph(C...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C79H101ClN16O14/c1-45(2)36-61(70(101)89-60(17-10-11-34-84-46(3)4)78(109)96-35-13-18-68(96)77(108)85-47(5)69(81)100)90-72(103)64(39-52-24-31-59(32-25-52)88-79(82)110)92-74(105)65(40-51-22-29-58(30-23-51)86-48(6)98)94-76(107)67(44-97)95-75(106)66(42-54-14-12-33-83-43-54)93-73(104)63(38-50-20-27-57(80)28-21-50)91-71(102)62(87-49(7)99)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-47,60-68,84,97H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,81,100)(H,85,108)(H,86,98)(H,87,99)(H,89,101)(H,90,103)(H,91,102)(H,92,105)(H,93,104)(H,94,107)(H,95,106)(H3,82,88,110)/t47-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102447
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Amf(C...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C80H103ClN16O14/c1-46(2)36-62(71(102)90-61(17-10-11-34-85-47(3)4)79(110)97-35-13-18-69(97)78(109)87-48(5)70(82)101)91-73(104)64(38-51-19-21-54(22-20-51)44-86-80(83)111)93-75(106)66(40-53-26-31-60(32-27-53)88-49(6)99)95-77(108)68(45-98)96-76(107)67(42-56-14-12-33-84-43-56)94-74(105)65(39-52-24-29-59(81)30-25-52)92-72(103)63(89-50(7)100)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,43,46-48,61-69,85,98H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,82,101)(H,87,109)(H,88,99)(H,89,100)(H,90,102)(H,91,104)(H,92,103)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H3,83,86,111)/t48-,61+,62+,63-,64+,65-,66+,67-,68+,69+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102456
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Ac)]-D-[Aph(A...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50209591
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Atz)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(Nc2nnc(N)[nH]2)cc1)NC(=O)[C@H](Cc1ccc(Nc2nnc(N)[nH]2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C80H102ClN23O12/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103)/t46-,58-,59-,60-,61-,62+,63-,64+,65-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102459
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Amf...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C84H106ClN17O16/c1-47(2)36-63(75(109)93-62(17-10-11-34-88-48(3)4)83(117)102-35-13-18-71(102)82(116)90-49(5)73(86)107)94-77(111)65(38-52-19-21-55(22-20-52)45-89-50(6)104)96-79(113)67(40-54-26-31-61(32-27-54)92-74(108)69-43-72(106)101-84(118)100-69)98-81(115)70(46-103)99-80(114)68(42-57-14-12-33-87-44-57)97-78(112)66(39-53-24-29-60(85)30-25-53)95-76(110)64(91-51(7)105)41-56-23-28-58-15-8-9-16-59(58)37-56/h8-9,12,14-16,19-33,37,44,47-49,62-71,88,103H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,89,104)(H,90,116)(H,91,105)(H,92,108)(H,93,109)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H,98,115)(H,99,114)(H2,100,101,106,118)/t49-,62+,63+,64-,65-,66-,67+,68-,69+,70+,71+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102462
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Cbm)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C79H101ClN16O14/c1-45(2)36-61(70(101)89-60(17-10-11-34-84-46(3)4)78(109)96-35-13-18-68(96)77(108)85-47(5)69(81)100)90-72(103)64(39-51-22-29-58(30-23-51)86-48(6)98)92-74(105)65(40-52-24-31-59(32-25-52)88-79(82)110)94-76(107)67(44-97)95-75(106)66(42-54-14-12-33-83-43-54)93-73(104)63(38-50-20-27-57(80)28-21-50)91-71(102)62(87-49(7)99)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-47,60-68,84,97H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,81,100)(H,85,108)(H,86,98)(H,87,99)(H,89,101)(H,90,103)(H,91,102)(H,92,105)(H,93,104)(H,94,107)(H,95,106)(H3,82,88,110)/t47-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102467
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C86H106ClN19O18/c1-46(2)35-61(76(114)95-60(16-9-10-33-90-47(3)4)84(122)106-34-12-17-70(106)83(121)91-48(5)73(88)111)96-78(116)64(38-51-21-28-58(29-22-51)93-74(112)67-42-71(109)104-85(123)102-67)98-80(118)65(39-52-23-30-59(31-24-52)94-75(113)68-43-72(110)105-86(124)103-68)100-82(120)69(45-107)101-81(119)66(41-54-13-11-32-89-44-54)99-79(117)63(37-50-19-26-57(87)27-20-50)97-77(115)62(92-49(6)108)40-53-18-25-55-14-7-8-15-56(55)36-53/h7-8,11,13-15,18-32,36,44,46-48,60-70,90,107H,9-10,12,16-17,33-35,37-43,45H2,1-6H3,(H2,88,111)(H,91,121)(H,92,108)(H,93,112)(H,94,113)(H,95,114)(H,96,116)(H,97,115)(H,98,118)(H,99,117)(H,100,120)(H,101,119)(H2,102,104,109,123)(H2,103,105,110,124)/t48-,60+,61+,62-,63-,64-,65+,66-,67-,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102465
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Amf...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H105ClN18O16/c1-46(2)35-61(73(108)93-60(16-9-10-33-88-47(3)4)81(116)102-34-12-17-69(102)80(115)90-48(5)71(85)106)94-75(110)63(37-50-18-20-53(21-19-50)44-89-82(86)117)96-77(112)65(39-52-25-30-59(31-26-52)92-72(107)67-42-70(105)101-83(118)100-67)98-79(114)68(45-103)99-78(113)66(41-55-13-11-32-87-43-55)97-76(111)64(38-51-23-28-58(84)29-24-51)95-74(109)62(91-49(6)104)40-54-22-27-56-14-7-8-15-57(56)36-54/h7-8,11,13-15,18-32,36,43,46-48,60-69,88,103H,9-10,12,16-17,33-35,37-42,44-45H2,1-6H3,(H2,85,106)(H,90,115)(H,91,104)(H,92,107)(H,93,108)(H,94,110)(H,95,109)(H,96,112)(H,97,111)(H,98,114)(H,99,113)(H3,86,89,117)(H2,100,101,105,118)/t48-,60+,61+,62-,63-,64-,65+,66-,67+,68+,69+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102438
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CO Show InChI InChI=1S/C83H106ClN17O16/c1-47(2)35-62(73(107)92-61(16-9-10-33-87-48(3)4)81(115)101-34-12-17-70(101)80(114)89-49(5)45-102)93-75(109)64(37-51-18-20-54(21-19-51)44-88-82(85)116)95-77(111)66(39-53-25-30-60(31-26-53)91-72(106)68-42-71(105)100-83(117)99-68)97-79(113)69(46-103)98-78(112)67(41-56-13-11-32-86-43-56)96-76(110)65(38-52-23-28-59(84)29-24-52)94-74(108)63(90-50(6)104)40-55-22-27-57-14-7-8-15-58(57)36-55/h7-8,11,13-15,18-32,36,43,47-49,61-70,87,102-103H,9-10,12,16-17,33-35,37-42,44-46H2,1-6H3,(H,89,114)(H,90,104)(H,91,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,88,116)(H2,99,100,105,117)/t49-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102453
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CNC(=O)NCc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccc(NC(=O)[C@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1 Show InChI InChI=1S/C84H107ClN18O16/c1-47(2)36-62(74(109)94-61(17-10-11-34-89-48(3)4)82(117)103-35-13-18-70(103)81(116)91-49(5)72(86)107)95-76(111)64(38-51-19-21-54(22-20-51)45-90-83(118)87-7)97-78(113)66(40-53-26-31-60(32-27-53)93-73(108)68-43-71(106)102-84(119)101-68)99-80(115)69(46-104)100-79(114)67(42-56-14-12-33-88-44-56)98-77(112)65(39-52-24-29-59(85)30-25-52)96-75(110)63(92-50(6)105)41-55-23-28-57-15-8-9-16-58(57)37-55/h8-9,12,14-16,19-33,37,44,47-49,61-70,89,104H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,91,116)(H,92,105)(H,93,108)(H,94,109)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H,99,115)(H,100,114)(H2,87,90,118)(H2,101,102,106,119)/t49-,61+,62+,63-,64-,65-,66+,67-,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102433
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Amf(Hor)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@@H](Cc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C84H106ClN17O16/c1-47(2)36-63(75(109)93-62(17-10-11-34-88-48(3)4)83(117)102-35-13-18-71(102)82(116)90-49(5)73(86)107)94-77(111)66(40-54-26-31-61(32-27-54)91-50(6)104)96-79(113)67(38-52-19-21-55(22-20-52)45-89-74(108)69-43-72(106)101-84(118)100-69)98-81(115)70(46-103)99-80(114)68(42-57-14-12-33-87-44-57)97-78(112)65(39-53-24-29-60(85)30-25-53)95-76(110)64(92-51(7)105)41-56-23-28-58-15-8-9-16-59(58)37-56/h8-9,12,14-16,19-33,37,44,47-49,62-71,88,103H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,89,108)(H,90,116)(H,91,104)(H,92,105)(H,93,109)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H,98,115)(H,99,114)(H2,100,101,106,118)/t49-,62+,63+,64-,65-,66-,67-,68-,69+,70+,71+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102458
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nalpha-Me-Aph(Hor...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C84H106ClN17O16/c1-47(2)37-63(75(109)93-62(18-11-12-35-88-48(3)4)83(117)102-36-14-19-70(102)80(114)89-49(5)73(86)107)94-78(112)66(40-53-23-30-60(31-24-53)90-50(6)104)97-81(115)71(43-54-25-32-61(33-26-54)92-74(108)68-44-72(106)100-84(118)99-68)101(8)82(116)69(46-103)98-79(113)67(42-56-15-13-34-87-45-56)96-77(111)65(39-52-21-28-59(85)29-22-52)95-76(110)64(91-51(7)105)41-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,45,47-49,62-71,88,103H,11-12,14,18-19,35-37,39-44,46H2,1-8H3,(H2,86,107)(H,89,114)(H,90,104)(H,91,105)(H,92,108)(H,93,109)(H,94,112)(H,95,110)(H,96,111)(H,97,115)(H,98,113)(H2,99,100,106,118)/t49-,62+,63+,64-,65-,66-,67-,68+,69+,70+,71+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102460
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(D/L-Hya)]-D-[...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)Cc2[nH]c(=O)[nH]c2O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H104ClN17O16/c1-46(2)36-62(73(107)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-75(109)65(39-52-22-29-59(30-23-52)89-49(6)103)95-77(111)66(40-53-24-31-60(32-25-53)91-71(105)43-68-79(113)100-83(117)99-68)97-80(114)69(45-102)98-78(112)67(42-55-14-12-33-86-44-55)96-76(110)64(38-51-20-27-58(84)28-21-51)94-74(108)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,46-48,61-67,69-70,87,102,113H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,105)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,114)(H,98,112)(H2,99,100,117)/t48-,61+,62+,63-,64-,65-,66+,67-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102464
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Dhp)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H102ClN17O16/c1-46(2)36-63(74(108)93-62(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)89-48(5)71(85)105)94-76(110)66(39-52-22-29-59(30-23-52)90-49(6)103)96-78(112)67(40-53-24-31-60(32-25-53)92-72(106)61-44-88-83(117)100-73(61)107)98-80(114)69(45-102)99-79(113)68(42-55-14-12-33-86-43-55)97-77(111)65(38-51-20-27-58(84)28-21-51)95-75(109)64(91-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43-44,46-48,62-70,87,102H,10-11,13,17-18,34-36,38-42,45H2,1-7H3,(H2,85,105)(H,89,115)(H,90,103)(H,91,104)(H,92,106)(H,93,108)(H,94,110)(H,95,109)(H,96,112)(H,97,111)(H,98,114)(H,99,113)(H2,88,100,107,117)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102461
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H104ClN17O16/c1-46(2)36-62(74(108)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-76(110)65(39-52-22-29-59(30-23-52)89-49(6)103)95-78(112)66(40-53-24-31-60(32-25-53)91-73(107)68-43-71(105)100-83(117)99-68)97-80(114)69(45-102)98-79(113)67(42-55-14-12-33-86-44-55)96-77(111)64(38-51-20-27-58(84)28-21-51)94-75(109)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,46-48,61-70,87,102H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,99,100,105,117)/t48-,61+,62+,63-,64-,65-,66+,67-,68-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102437
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(CNC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O Show InChI InChI=1S/C82H104ClN17O15/c1-7-86-79(112)69-18-13-35-100(69)80(113)60(17-10-11-34-87-48(4)5)91-72(105)61(36-47(2)3)92-74(107)63(38-50-19-21-53(22-20-50)45-88-81(84)114)94-76(109)65(40-52-26-31-59(32-27-52)90-71(104)67-43-70(103)99-82(115)98-67)96-78(111)68(46-101)97-77(110)66(42-55-14-12-33-85-44-55)95-75(108)64(39-51-24-29-58(83)30-25-51)93-73(106)62(89-49(6)102)41-54-23-28-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,44,47-48,60-69,87,101H,7,10-11,13,17-18,34-36,38-43,45-46H2,1-6H3,(H,86,112)(H,89,102)(H,90,104)(H,91,105)(H,92,107)(H,93,106)(H,94,109)(H,95,108)(H,96,111)(H,97,110)(H3,84,88,114)(H2,98,99,103,115)/t60-,61-,62+,63+,64+,65-,66+,67+,68-,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102450
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(N)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
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UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102457
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(diureidoacety...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)C(NC(N)=O)NC(N)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H106ClN19O16/c1-45(2)36-61(71(107)93-60(17-10-11-34-88-46(3)4)80(116)102-35-13-18-68(102)78(114)89-47(5)69(84)106)94-73(109)64(39-51-22-29-58(30-23-51)90-48(6)104)96-75(111)65(40-52-24-31-59(32-25-52)92-79(115)70(100-81(85)117)101-82(86)118)98-77(113)67(44-103)99-76(112)66(42-54-14-12-33-87-43-54)97-74(110)63(38-50-20-27-57(83)28-21-50)95-72(108)62(91-49(7)105)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-47,60-68,70,88,103H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,84,106)(H,89,114)(H,90,104)(H,91,105)(H,92,115)(H,93,107)(H,94,109)(H,95,108)(H,96,111)(H,97,110)(H,98,113)(H,99,112)(H3,85,100,117)(H3,86,101,118)/t47-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102432
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Imz)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)C2CNC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H104ClN17O15/c1-46(2)36-62(72(105)92-61(17-10-11-34-86-47(3)4)81(114)100-35-13-18-70(100)80(113)88-48(5)71(84)104)93-74(107)65(39-52-22-29-59(30-23-52)89-49(6)102)95-76(109)66(40-53-24-31-60(32-25-53)91-78(111)68-44-87-82(115)99-68)97-79(112)69(45-101)98-77(110)67(42-55-14-12-33-85-43-55)96-75(108)64(38-51-20-27-58(83)28-21-51)94-73(106)63(90-50(7)103)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43,46-48,61-70,86,101H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,84,104)(H,88,113)(H,89,102)(H,90,103)(H,91,111)(H,92,105)(H,93,107)(H,94,106)(H,95,109)(H,96,108)(H,97,112)(H,98,110)(H2,87,99,115)/t48-,61+,62+,63-,64-,65-,66+,67-,68?,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102444
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Amf(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(CNC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C84H106ClN17O16/c1-47(2)36-63(75(109)93-62(17-10-11-34-88-48(3)4)83(117)102-35-13-18-71(102)82(116)90-49(5)73(86)107)94-77(111)65(38-52-19-21-55(22-20-52)45-89-50(6)104)96-79(113)67(40-54-26-31-61(32-27-54)92-74(108)69-43-72(106)101-84(118)100-69)98-81(115)70(46-103)99-80(114)68(42-57-14-12-33-87-44-57)97-78(112)66(39-53-24-29-60(85)30-25-53)95-76(110)64(91-51(7)105)41-56-23-28-58-15-8-9-16-59(58)37-56/h8-9,12,14-16,19-33,37,44,47-49,62-71,88,103H,10-11,13,17-18,34-36,38-43,45-46H2,1-7H3,(H2,86,107)(H,89,104)(H,90,116)(H,91,105)(H,92,108)(H,93,109)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H,98,115)(H,99,114)(H2,100,101,106,118)/t49-,62+,63+,64-,65-,66-,67+,68-,69-,70+,71+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102452
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Oro)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C83H102ClN17O16/c1-46(2)36-62(74(108)92-61(17-10-11-34-87-47(3)4)82(116)101-35-13-18-70(101)81(115)88-48(5)72(85)106)93-76(110)65(39-52-22-29-59(30-23-52)89-49(6)103)95-78(112)66(40-53-24-31-60(32-25-53)91-73(107)68-43-71(105)100-83(117)99-68)97-80(114)69(45-102)98-79(113)67(42-55-14-12-33-86-44-55)96-77(111)64(38-51-20-27-58(84)28-21-51)94-75(109)63(90-50(7)104)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43-44,46-48,61-67,69-70,87,102H,10-11,13,17-18,34-36,38-42,45H2,1-7H3,(H2,85,106)(H,88,115)(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H2,99,100,105,117)/t48-,61+,62+,63-,64-,65-,66+,67-,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102440
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DImz)]-D-[Aph...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@@H]2CNC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C82H104ClN17O15/c1-46(2)36-62(72(105)92-61(17-10-11-34-86-47(3)4)81(114)100-35-13-18-70(100)80(113)88-48(5)71(84)104)93-74(107)65(39-52-22-29-59(30-23-52)89-49(6)102)95-76(109)66(40-53-24-31-60(32-25-53)91-78(111)68-44-87-82(115)99-68)97-79(112)69(45-101)98-77(110)67(42-55-14-12-33-85-43-55)96-75(108)64(38-51-20-27-58(83)28-21-51)94-73(106)63(90-50(7)103)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43,46-48,61-70,86,101H,10-11,13,17-18,34-36,38-42,44-45H2,1-7H3,(H2,84,104)(H,88,113)(H,89,102)(H,90,103)(H,91,111)(H,92,105)(H,93,107)(H,94,106)(H,95,109)(H,96,108)(H,97,112)(H,98,110)(H2,87,99,115)/t48-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102439
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C86H106ClN19O18/c1-46(2)35-61(76(114)95-60(16-9-10-33-90-47(3)4)84(122)106-34-12-17-70(106)83(121)91-48(5)73(88)111)96-78(116)64(38-51-21-28-58(29-22-51)93-74(112)67-42-71(109)104-85(123)102-67)98-80(118)65(39-52-23-30-59(31-24-52)94-75(113)68-43-72(110)105-86(124)103-68)100-82(120)69(45-107)101-81(119)66(41-54-13-11-32-89-44-54)99-79(117)63(37-50-19-26-57(87)27-20-50)97-77(115)62(92-49(6)108)40-53-18-25-55-14-7-8-15-56(55)36-53/h7-8,11,13-15,18-32,36,44,46-48,60-70,90,107H,9-10,12,16-17,33-35,37-43,45H2,1-6H3,(H2,88,111)(H,91,121)(H,92,108)(H,93,112)(H,94,113)(H,95,114)(H,96,116)(H,97,115)(H,98,118)(H,99,117)(H,100,120)(H,101,119)(H2,102,104,109,123)(H2,103,105,110,124)/t48-,60+,61+,62-,63-,64-,65+,66-,67+,68-,69+,70+/m1/s1 | PDB
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| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50102436
(Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-Nal-L...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)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/C85H103ClN16O15/c1-48(2)37-64(76(108)93-63(20-11-12-35-89-49(3)4)84(116)102-36-14-21-72(102)83(115)90-50(5)74(87)106)94-80(112)68(43-55-23-29-58-17-8-10-19-60(58)39-55)96-79(111)67(41-53-26-32-62(33-27-53)92-75(107)70-45-73(105)101-85(117)100-70)98-82(114)71(47-103)99-81(113)69(44-56-15-13-34-88-46-56)97-78(110)66(40-52-24-30-61(86)31-25-52)95-77(109)65(91-51(6)104)42-54-22-28-57-16-7-9-18-59(57)38-54/h7-10,13,15-19,22-34,38-39,46,48-50,63-72,89,103H,11-12,14,20-21,35-37,40-45,47H2,1-6H3,(H2,87,106)(H,90,115)(H,91,104)(H,92,107)(H,93,108)(H,94,112)(H,95,109)(H,96,111)(H,97,110)(H,98,114)(H,99,113)(H2,100,101,105,117)/t50-,63+,64+,65-,66-,67+,68-,69-,70-,71+,72+/m1/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells |
J Med Chem 44: 453-67 (2001)
BindingDB Entry DOI: 10.7270/Q28G8MF7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290968
(9H-Fluorene-9-carboxylic acid methyl-((1S,2S)-2-py...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-26(22-14-6-7-15-23(22)27-16-8-9-17-27)25(28)24-20-12-4-2-10-18(20)19-11-3-5-13-21(19)24/h2-5,10-13,22-24H,6-9,14-17H2,1H3/t22-,23-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290969
(2-(4-Chloro-phenyl)-3-phenyl-cycloprop-2-enecarbox...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccc(Cl)cc1)c1ccccc1 |c:18| Show InChI InChI=1S/C27H31ClN2O/c1-29(22-11-5-6-12-23(22)30-17-7-8-18-30)27(31)26-24(19-9-3-2-4-10-19)25(26)20-13-15-21(28)16-14-20/h2-4,9-10,13-16,22-23,26H,5-8,11-12,17-18H2,1H3/t22-,23-,26?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50088375
(1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methy...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23| Show InChI InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
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| Article
| n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290970
(2,3-Diphenyl-cyclopropanecarboxylic acid methyl-((...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(C1c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-26H,8-11,16-19H2,1H3/t22-,23-,24?,25?,26?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290971
(2,3-Diphenyl-cycloprop-2-enecarboxylic acid methyl...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:18| Show InChI InChI=1S/C27H32N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-23,26H,8-11,16-19H2,1H3/t22-,23-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290972
(1-[Methyl-((1S,2S)-2-pyrrolidin-1-yl-cyclohexyl)-c...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1(C(O)=O)C(=C1c1ccccc1)c1ccccc1 |c:21| Show InChI InChI=1S/C28H32N2O3/c1-29(22-16-8-9-17-23(22)30-18-10-11-19-30)26(31)28(27(32)33)24(20-12-4-2-5-13-20)25(28)21-14-6-3-7-15-21/h2-7,12-15,22-23H,8-11,16-19H2,1H3,(H,32,33)/t22-,23-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290973
(CHEMBL318430 | N-Methyl-3,3-diphenyl-N-((1S,2S)-2-...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H34N2O/c1-27(24-16-8-9-17-25(24)28-18-10-11-19-28)26(29)20-23(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-7,12-15,23-25H,8-11,16-20H2,1H3/t24-,25-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290967
(1-{(5R,7S,8S)-8-[(2-Benzofuran-4-yl-acetyl)-methyl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290974
(CHEMBL327944 | N-Methyl-2,2-diphenyl-N-((1S,2S)-2-...)Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H32N2O/c1-26(22-16-8-9-17-23(22)27-18-10-11-19-27)25(28)24(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-7,12-15,22-24H,8-11,16-19H2,1H3/t22-,23-/m0/s1 | PDB
Reactome pathway
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UniChem
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50290975
(2-(3-Methoxy-phenyl)-3-phenyl-cycloprop-2-enecarbo...)Show SMILES COc1cccc(c1)C1=C(C1C(=O)N(C)[C@H]1CCCC[C@@H]1N1CCCC1)c1ccccc1 |t:9| Show InChI InChI=1S/C28H34N2O2/c1-29(23-15-6-7-16-24(23)30-17-8-9-18-30)28(31)27-25(20-11-4-3-5-12-20)26(27)21-13-10-14-22(19-21)32-2/h3-5,10-14,19,23-24,27H,6-9,15-18H2,1-2H3/t23-,24-,27?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens |
Bioorg Med Chem Lett 7: 291-296 (1997)
Article DOI: 10.1016/S0960-894X(96)00615-4
BindingDB Entry DOI: 10.7270/Q2G160VS |
More data for this
Ligand-Target Pair | |
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