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Compile Data Set for Download or QSAR

Found 864 hits with Last Name = 'galyean' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102443
PNG
(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
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 2.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102449
PNG
(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
KEGG

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PubMed
n/an/a 2.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102466
PNG
(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
KEGG

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n/an/a 3n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102451
PNG
(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
KEGG

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PC cid
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UniChem

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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102442
PNG
(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
KEGG

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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102454
PNG
(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
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
KEGG

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PC cid
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UniChem

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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50369965
PNG
(CETRORELIX | Cetrotide)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)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](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
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
KEGG

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Article
PubMed
n/an/a 4.20n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102435
PNG
(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
KEGG

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n/an/a 4.30n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102446
PNG
(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
KEGG

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PubMed
n/an/a 5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102448
PNG
(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
KEGG

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n/an/a 5.5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102441
PNG
(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
KEGG

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n/an/a 5.60n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102445
PNG
(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
KEGG

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n/an/a 5.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102434
PNG
(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
KEGG

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n/an/a 6.10n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102447
PNG
(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
KEGG

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n/an/a 6.40n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102456
PNG
(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
KEGG

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n/an/a 6.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50209591
PNG
(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
KEGG

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n/an/a 6.90n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102459
PNG
(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
KEGG

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n/an/a 7n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102462
PNG
(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
KEGG

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n/an/a 7.20n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102467
PNG
(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
KEGG

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n/an/a 7.70n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102465
PNG
(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
KEGG

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n/an/a 7.70n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102438
PNG
(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
KEGG

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n/an/a 7.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102453
PNG
(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
KEGG

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n/an/a 7.90n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102433
PNG
(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
KEGG

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n/an/a 7.90n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102460
PNG
(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
KEGG

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n/an/a 8.10n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102458
PNG
(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
KEGG

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n/an/a 8.10n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102464
PNG
(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
KEGG

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n/an/a 8.20n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102461
PNG
(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
KEGG

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n/an/a 8.60n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102437
PNG
(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
KEGG

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n/an/a 8.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102450
PNG
(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
KEGG

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n/an/a 8.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102457
PNG
(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
KEGG

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n/an/a 8.90n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102432
PNG
(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
KEGG

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n/an/a 9.10n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102444
PNG
(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
KEGG

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n/an/a 9.5n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102452
PNG
(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
KEGG

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n/an/a 10.7n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102440
PNG
(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
KEGG

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n/an/a 10.8n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102439
PNG
(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
KEGG

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n/an/a 10.8n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50102436
PNG
(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
KEGG

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n/an/a 13n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0003900
BindingDB Entry DOI: 10.7270/Q28G8MF7
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044780
PNG
(CHEMBL3353935)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C46H71N11O13S/c1-6-25(5)39-45(68)52-29(14-15-35(47)59)41(64)53-32(20-36(48)60)42(65)55-33(23-71-16-8-9-38(62)51-31(43(66)56-39)18-26-10-12-28(13-11-26)70-7-2)46(69)57-22-27(58)19-34(57)44(67)54-30(17-24(3)4)40(63)50-21-37(49)61/h10-13,24-25,27,29-34,39,58H,6-9,14-23H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)/t25-,27-,29-,30-,31-,32-,33-,34-,39-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044779
PNG
(CHEMBL3353936)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)OC)cc1
Show InChI InChI=1S/C47H73N11O13S/c1-7-26(5)40-46(68)53-30(15-16-36(48)59)42(64)54-33(21-37(49)60)43(65)56-34(24-72-17-9-10-39(62)52-32(44(66)57-40)19-27-11-13-28(14-12-27)71-8-2)47(69)58-23-29(70-6)20-35(58)45(67)55-31(18-25(3)4)41(63)51-22-38(50)61/h11-14,25-26,29-35,40H,7-10,15-24H2,1-6H3,(H2,48,59)(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,67)(H,56,65)(H,57,66)/t26-,29-,30-,31-,32-,33-,34-,35-,40-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044756
PNG
(CHEMBL3353953)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C48H69N11O12S2/c1-5-28(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(23-38(50)62)45(68)57-36(26-73-72-20-18-40(64)53-34(46(69)58-42)22-30-11-13-31(60)14-12-30)48(71)59(19-17-29-9-7-6-8-10-29)25-41(65)54-33(21-27(2)3)43(66)52-24-39(51)63/h6-14,27-28,32-36,42,60H,5,15-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044750
PNG
(CHEMBL3354571)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1cccs1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H67N11O12S3/c1-5-26(4)40-45(68)53-30(12-13-35(47)59)42(65)54-33(21-36(48)60)43(66)55-34(24-72-71-18-15-38(62)51-32(44(67)56-40)20-27-8-10-28(58)11-9-27)46(69)57(16-14-29-7-6-17-70-29)23-39(63)52-31(19-25(2)3)41(64)50-22-37(49)61/h6-11,17,25-26,30-34,40,58H,5,12-16,18-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044681
PNG
(CHEMBL3354599)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C49H71N11O11S/c1-5-30(4)43-48(70)56-33(16-17-38(50)61)45(67)58-37(26-39(51)62)46(68)57-34(19-22-72-23-20-41(64)54-36(47(69)59-43)25-32-14-10-7-11-15-32)49(71)60(21-18-31-12-8-6-9-13-31)28-42(65)55-35(24-29(2)3)44(66)53-27-40(52)63/h6-15,29-30,33-37,43H,5,16-28H2,1-4H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,66)(H,54,64)(H,55,65)(H,56,70)(H,57,68)(H,58,67)(H,59,69)/t30-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044754
PNG
(CHEMBL3353955)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccncc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H68N12O12S2/c1-5-27(4)41-46(70)55-31(10-11-36(48)61)43(67)56-34(22-37(49)62)44(68)57-35(25-73-72-19-15-39(64)53-33(45(69)58-41)21-29-6-8-30(60)9-7-29)47(71)59(18-14-28-12-16-51-17-13-28)24-40(65)54-32(20-26(2)3)42(66)52-23-38(50)63/h6-9,12-13,16-17,26-27,31-35,41,60H,5,10-11,14-15,18-25H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,31-,32-,33-,34-,35-,41-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044679
PNG
(CHEMBL3354601)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1
Show InChI InChI=1S/C46H67N11O12S2/c1-5-26(4)40-45(68)53-30(12-13-35(47)59)42(65)55-34(21-36(48)60)43(66)54-31(14-17-70-18-15-38(62)51-33(44(67)56-40)20-27-8-10-28(58)11-9-27)46(69)57(23-29-7-6-16-71-29)24-39(63)52-32(19-25(2)3)41(64)50-22-37(49)61/h6-11,16,25-26,30-34,40,58H,5,12-15,17-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,66)(H,55,65)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044751
PNG
(CHEMBL3354570)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccco1
Show InChI InChI=1S/C45H65N11O13S2/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h6-11,15,24-25,29-33,39,57H,5,12-14,16-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044687
PNG
(CHEMBL3354593)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccc(C)c1
Show InChI InChI=1S/C49H71N11O11S/c1-6-30(5)43-48(70)56-33(15-16-38(50)61)45(67)58-37(24-39(51)62)46(68)57-34(17-19-72-20-18-41(64)54-36(47(69)59-43)23-31-12-8-7-9-13-31)49(71)60(26-32-14-10-11-29(4)22-32)27-42(65)55-35(21-28(2)3)44(66)53-25-40(52)63/h7-14,22,28,30,33-37,43H,6,15-21,23-27H2,1-5H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,66)(H,54,64)(H,55,65)(H,56,70)(H,57,68)(H,58,67)(H,59,69)/t30-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044683
PNG
(CHEMBL3354597)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C49H71N11O12S/c1-5-29(4)43-48(71)56-33(17-18-38(50)62)45(68)57-36(24-39(51)63)46(69)58-37(27-73-21-9-12-41(65)54-35(47(70)59-43)23-31-13-15-32(61)16-14-31)49(72)60(20-19-30-10-7-6-8-11-30)26-42(66)55-34(22-28(2)3)44(67)53-25-40(52)64/h6-8,10-11,13-16,28-29,33-37,43,61H,5,9,12,17-27H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044682
PNG
(CHEMBL3354598)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C49H71N11O12S/c1-5-29(4)43-48(71)56-33(15-16-38(50)62)45(68)58-37(25-39(51)63)46(69)57-34(18-21-73-22-19-41(65)54-36(47(70)59-43)24-31-11-13-32(61)14-12-31)49(72)60(20-17-30-9-7-6-8-10-30)27-42(66)55-35(23-28(2)3)44(67)53-26-40(52)64/h6-14,28-29,33-37,43,61H,5,15-27H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,69)(H,58,68)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044781
PNG
(CHEMBL3353934)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)SC
Show InChI InChI=1S/C46H71N11O12S2/c1-7-25(4)39-45(67)52-29(14-15-35(47)58)41(63)53-32(20-36(48)59)42(64)55-33(23-71-16-8-9-38(61)51-31(43(65)56-39)18-26-10-12-27(69-5)13-11-26)46(68)57-22-28(70-6)19-34(57)44(66)54-30(17-24(2)3)40(62)50-21-37(49)60/h10-13,24-25,28-34,39H,7-9,14-23H2,1-6H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t25-,28+,29-,30-,31-,32-,33-,34-,39-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044755
PNG
(CHEMBL3353954)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccn1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H68N12O12S2/c1-5-27(4)41-46(70)55-31(13-14-36(48)61)43(67)56-34(22-37(49)62)44(68)57-35(25-73-72-19-16-39(64)53-33(45(69)58-41)21-28-9-11-30(60)12-10-28)47(71)59(18-15-29-8-6-7-17-51-29)24-40(65)54-32(20-26(2)3)42(66)52-23-38(50)63/h6-12,17,26-27,31-35,41,60H,5,13-16,18-25H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,31-,32-,33-,34-,35-,41-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
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