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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'fridkin' and Initial = 'm'   
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 receptor


(Rattus norvegicus)
BDBM50090718
PNG
(CHEMBL327528 | N-(1-{1-[1-Carboxy-2-(1H-indol-3-yl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)n1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C45H58N8O10/c1-7-24(5)37(41(58)49-34(44(61)62)19-27-22-47-31-16-12-10-14-29(27)31)52-42(59)38(25(6)8-2)51-39(56)32(20-36(54)55)48-40(57)35(17-23(3)4)53-43(60)33(50-45(53)63)18-26-21-46-30-15-11-9-13-28(26)30/h9-16,21-25,32,34-35,37-38,46-47,60H,7-8,17-20H2,1-6H3,(H,48,57)(H,49,58)(H,50,63)(H,51,56)(H,52,59)(H,54,55)(H,61,62)/t24-,25-,32-,34-,35-,37-,38-/m0/s1
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230n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090717
PNG
(15,18-Di-sec-butyl-9,12-bis-(1H-indol-3-ylmethyl)-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](NC1=O)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C45H60N8O8S/c1-7-25(5)38-44(59)53-39(26(6)8-2)43(58)50-35(19-28-21-47-32-16-12-10-14-30(28)32)42(57)49-34(18-27-20-46-31-15-11-9-13-29(27)31)41(56)48-33(17-24(3)4)40(55)51-36(45(60)61)22-62-23-37(54)52-38/h9-16,20-21,24-26,33-36,38-39,46-47H,7-8,17-19,22-23H2,1-6H3,(H,48,56)(H,49,57)(H,50,58)(H,51,55)(H,52,54)(H,53,59)(H,60,61)/t25-,26-,33-,34+,35+,36-,38-,39+/m0/s1
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320n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090721
PNG
(2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(40)37(54)48-33(22(6)8-2)38(55)46-28(14-23-17-42-26-12-10-9-11-25(23)26)35(52)45-29(15-24-18-41-19-43-24)36(53)44-27(13-20(3)4)34(51)47-30(39(56)57)16-31(49)50/h9-12,17-22,27-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,53)(H,45,52)(H,46,55)(H,47,51)(H,48,54)(H,49,50)(H,56,57)/t21?,22?,27?,28?,29-,30?,32?,33?/m1/s1
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500n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090722
PNG
(CHEMBL329695 | [5,8-Di-sec-butyl-11,14-bis-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](NC1=O)[C@@H](C)CC
Show InChI InChI=1S/C44H58N8O8/c1-7-24(5)37-43(59)50-34(19-27-22-46-31-16-12-10-14-29(27)31)41(57)48-33(18-26-21-45-30-15-11-9-13-28(26)30)40(56)47-32(17-23(3)4)39(55)49-35(20-36(53)54)42(58)51-38(25(6)8-2)44(60)52-37/h9-16,21-25,32-35,37-38,45-46H,7-8,17-20H2,1-6H3,(H,47,56)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H,52,60)(H,53,54)/t24-,25-,32-,33+,34+,35+,37+,38-/m0/s1
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700n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090712
PNG
(2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(45)42(58)52-38(25(6)8-2)43(59)50-34(19-27-22-47-31-16-12-10-14-29(27)31)41(57)49-33(18-26-21-46-30-15-11-9-13-28(26)30)40(56)48-32(17-23(3)4)39(55)51-35(44(60)61)20-36(53)54/h9-16,21-25,32-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,56)(H,49,57)(H,50,59)(H,51,55)(H,52,58)(H,53,54)(H,60,61)/t24?,25?,32?,33-,34?,35?,37?,38?/m1/s1
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700n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001220
PNG
(3-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H62N8O10/c1-8-25(5)39(44(61)52-37(46(63)64)20-29-23-48-33-17-13-11-15-31(29)33)54-45(62)40(26(6)9-2)53-43(60)36(21-38(56)57)51-41(58)34(18-24(3)4)50-42(59)35(49-27(7)55)19-28-22-47-32-16-12-10-14-30(28)32/h10-17,22-26,34-37,39-40,47-48H,8-9,18-21H2,1-7H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t25-,26-,34-,35+,36-,37-,39-,40-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090719
PNG
(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H69N11O8/c1-8-27(5)40(45(64)57-39(47(66)67)23-31-25-53-35-18-13-11-16-33(31)35)59-46(65)41(28(6)9-2)58-42(61)36(19-14-20-51-48(49)50)55-43(62)37(21-26(3)4)56-44(63)38(54-29(7)60)22-30-24-52-34-17-12-10-15-32(30)34/h10-13,15-18,24-28,36-41,52-53H,8-9,14,19-23H2,1-7H3,(H,54,60)(H,55,62)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,66,67)(H4,49,50,51)/t27-,28-,36-,37-,38+,39-,40-,41-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090716
PNG
(2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(45)42(58)52-38(25(6)8-2)43(59)50-34(19-27-22-47-31-16-12-10-14-29(27)31)41(57)49-33(18-26-21-46-30-15-11-9-13-28(26)30)40(56)48-32(17-23(3)4)39(55)51-35(44(60)61)20-36(53)54/h9-16,21-25,32-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,56)(H,49,57)(H,50,59)(H,51,55)(H,52,58)(H,53,54)(H,60,61)
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4.00E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090715
PNG
(3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(42(58)50-35(44(60)61)19-27-22-47-32-16-12-10-14-29(27)32)52-43(59)38(25(6)8-2)51-41(57)34(20-36(53)54)49-40(56)33(17-23(3)4)48-39(55)30(45)18-26-21-46-31-15-11-9-13-28(26)31/h9-16,21-25,30,33-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,55)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,54)(H,60,61)/t24-,25-,30+,33-,34-,35-,37-,38-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090720
PNG
(2-(2-{2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O9/c1-7-24(5)35(43)40(55)49-36(25(6)8-2)41(56)47-32(20-27-22-44-29-17-13-12-16-28(27)29)39(54)46-31(19-26-14-10-9-11-15-26)38(53)45-30(18-23(3)4)37(52)48-33(42(57)58)21-34(50)51/h9-17,22-25,30-33,35-36,44H,7-8,18-21,43H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,52)(H,49,55)(H,50,51)(H,57,58)/t24?,25?,30?,31-,32?,33?,35?,36?/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090714
PNG
(2-(2-{2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H55N7O9/c1-8-19(5)29(37)34(49)43-30(20(6)9-2)35(50)41-26(15-22-17-38-24-13-11-10-12-23(22)24)32(47)39-21(7)31(46)40-25(14-18(3)4)33(48)42-27(36(51)52)16-28(44)45/h10-13,17-21,25-27,29-30,38H,8-9,14-16,37H2,1-7H3,(H,39,47)(H,40,46)(H,41,50)(H,42,48)(H,43,49)(H,44,45)(H,51,52)/t19?,20?,21-,25?,26?,27?,29?,30?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50105862
PNG
(CHEMBL410632 | pGlu-His-Trp-Ser-Tyr-D-Lys(2-(hydro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNOC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C74H90N18O21/c1-36(2)23-50(65(103)86-48(12-7-20-79-74(76)77)71(109)92-22-8-13-55(92)70(108)81-33-58(75)98)87-64(102)47(11-5-6-21-83-112-72(110)38-25-44-60(56(96)27-38)63(101)61-45(62(44)100)29-42(95)30-57(61)97)85-66(104)51(24-37-14-16-41(94)17-15-37)88-69(107)54(34-93)90-67(105)52(26-39-31-80-46-10-4-3-9-43(39)46)89-68(106)53(28-40-32-78-35-82-40)91-113-73(111)49-18-19-59(99)84-49/h3-4,9-10,14-17,25,27,29-32,35-36,47-55,80,83,91,93-97H,5-8,11-13,18-24,26,28,33-34H2,1-2H3,(H2,75,98)(H,78,82)(H,81,108)(H,84,99)(H,85,104)(H,86,103)(H,87,102)(H,88,107)(H,89,106)(H,90,105)(H4,76,77,79)/t47-,48-,49?,50-,51-,52-,53-,54-,55-/m0/s1
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n/an/a 0.00200n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...


J Med Chem 44: 3645-52 (2001)


BindingDB Entry DOI: 10.7270/Q2W66K2Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50105860
PNG
(CHEMBL385043 | pGlu-His-Trp-Ser-Tyr-D-Lys-Leu-Arg-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40?,41+,42+,43+,44+,45+,46+,47-/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...


J Med Chem 44: 3645-52 (2001)


BindingDB Entry DOI: 10.7270/Q2W66K2Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50105861
PNG
(CHEMBL414239 | pGlu-His-Trp-Ser-Tyr-D-Lys(N-(2 chl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CC=Nc1c(O)c2ccccc2c(O)c1Cl)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |w:17.16|
Show InChI InChI=1S/C72H92ClN19O17/c1-38(2)29-50(64(101)86-48(16-9-26-80-72(75)76)70(107)92-28-10-17-55(92)69(106)82-35-56(74)95)87-63(100)47(15-7-8-25-78-57(96)24-27-79-60-59(73)61(98)44-12-3-4-13-45(44)62(60)99)85-65(102)51(30-39-18-20-42(94)21-19-39)88-68(105)54(36-93)90-66(103)52(31-40-33-81-46-14-6-5-11-43(40)46)89-67(104)53(32-41-34-77-37-83-41)91-109-71(108)49-22-23-58(97)84-49/h3-6,11-14,18-21,27,33-34,37-38,47-55,81,91,93-94,98-99H,7-10,15-17,22-26,28-32,35-36H2,1-2H3,(H2,74,95)(H,77,83)(H,78,96)(H,82,106)(H,84,97)(H,85,102)(H,86,101)(H,87,100)(H,88,105)(H,89,104)(H,90,103)(H4,75,76,80)/t47-,48-,49?,50-,51-,52-,53-,54-,55-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...


J Med Chem 44: 3645-52 (2001)


BindingDB Entry DOI: 10.7270/Q2W66K2Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50105863
PNG
(CHEMBL438099 | pGlu-His-Trp-Ser-Tyr-D-Lys(emodic a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNCc1cc(O)c2C(=O)c3c(O)cc(cc3C(=O)c2c1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C75H92N18O20/c1-37(2)23-51(66(103)87-49(12-7-21-81-75(77)78)72(109)93-22-8-13-56(93)71(108)83-34-59(76)98)88-65(102)48(11-5-6-20-79-31-39-24-45-61(57(96)26-39)64(101)62-46(63(45)100)27-40(73(110)111)29-58(62)97)86-67(104)52(25-38-14-16-43(95)17-15-38)89-70(107)55(35-94)91-68(105)53(28-41-32-82-47-10-4-3-9-44(41)47)90-69(106)54(30-42-33-80-36-84-42)92-113-74(112)50-18-19-60(99)85-50/h3-4,9-10,14-17,24,26-27,29,32-33,36-37,48-56,79,82,92,94-97H,5-8,11-13,18-23,25,28,30-31,34-35H2,1-2H3,(H2,76,98)(H,80,84)(H,83,108)(H,85,99)(H,86,104)(H,87,103)(H,88,102)(H,89,107)(H,90,106)(H,91,105)(H,110,111)(H4,77,78,81)/t48-,49-,50?,51-,52-,53-,54-,55-,56-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...


J Med Chem 44: 3645-52 (2001)


BindingDB Entry DOI: 10.7270/Q2W66K2Z
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50422274
PNG
(GONADORELIN | Human gonadoliberin-i)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090745
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C48H59ClN12O8/c1-28(42(50)64)56-46(68)40-13-8-22-61(40)47(69)36(12-7-21-54-48(51)52)58-41(63)27-55-43(65)39(26-35-11-5-6-20-53-35)60-45(67)38(24-30-15-18-34(49)19-16-30)59-44(66)37(57-29(2)62)25-31-14-17-32-9-3-4-10-33(32)23-31/h3-6,9-11,14-20,23,28,36-40H,7-8,12-13,21-22,24-27H2,1-2H3,(H2,50,64)(H,55,65)(H,56,68)(H,57,62)(H,58,63)(H,59,66)(H,60,67)(H4,51,52,54)/t28-,36+,37-,38+,39+,40+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 7.70n/an/an/an/a7.437



The Weizmann Institute of Science



Assay Description
Inhibition of MAO activity in rat brain homogenates.


ACS Chem Biol 5: 603-10 (2010)


Article DOI: 10.1021/cb900264w
BindingDB Entry DOI: 10.7270/Q2959FX1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM36553
PNG
(Prochelators, 3)
Show SMILES CCN(C)C(=O)Oc1ccc(CN(C)CC#C)c2cccnc12
Show InChI InChI=1S/C18H21N3O2/c1-5-12-20(3)13-14-9-10-16(23-18(22)21(4)6-2)17-15(14)8-7-11-19-17/h1,7-11H,6,12-13H2,2-4H3
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n/an/a 9.60n/an/an/an/a7.437



The Weizmann Institute of Science



Assay Description
Inhibition of MAO activity in rat brain homogenates.


ACS Chem Biol 5: 603-10 (2010)


Article DOI: 10.1021/cb900264w
BindingDB Entry DOI: 10.7270/Q2959FX1
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090748
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-4-5-15-39(46(68)62-40(16-10-25-58-52(55)56)51(73)65-26-11-17-44(65)50(72)59-31(2)45(54)67)61-49(71)43(30-38-14-8-9-24-57-38)64-48(70)42(28-33-19-22-37(53)23-20-33)63-47(69)41(60-32(3)66)29-34-18-21-35-12-6-7-13-36(35)27-34/h6-9,12-14,18-24,27,31,39-44H,4-5,10-11,15-17,25-26,28-30H2,1-3H3,(H2,54,67)(H,59,72)(H,60,66)(H,61,71)(H,62,68)(H,63,69)(H,64,70)(H4,55,56,58)/t31-,39?,40+,41-,42+,43+,44+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090736
PNG
(1-{2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCNNC(=O)c1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C55H65ClN12O9/c1-33(48(57)70)61-54(76)47-17-11-27-68(47)55(77)43(16-7-9-26-60-67-50(72)40-14-10-24-58-32-40)64-49(71)34(2)62-51(73)46(31-42-15-6-8-25-59-42)66-53(75)45(29-36-19-22-41(56)23-20-36)65-52(74)44(63-35(3)69)30-37-18-21-38-12-4-5-13-39(38)28-37/h4-6,8,10,12-15,18-25,28,32-34,43-47,60H,7,9,11,16-17,26-27,29-31H2,1-3H3,(H2,57,70)(H,61,76)(H,62,73)(H,63,69)(H,64,71)(H,65,74)(H,66,75)(H,67,72)/t33-,34-,43+,44-,45+,46+,47+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090732
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C48H59ClN12O8/c1-28(42(50)64)56-46(68)40-13-8-22-61(40)47(69)36(12-7-21-54-48(51)52)58-41(63)27-55-43(65)39(26-35-11-5-6-20-53-35)60-45(67)38(24-30-15-18-34(49)19-16-30)59-44(66)37(57-29(2)62)25-31-14-17-32-9-3-4-10-33(32)23-31/h3-6,9-11,14-20,23,28,36-40H,7-8,12-13,21-22,24-27H2,1-2H3,(H2,50,64)(H,55,65)(H,56,68)(H,57,62)(H,58,63)(H,59,66)(H,60,67)(H4,51,52,54)/t28-,36-,37-,38+,39+,40+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090724
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61ClN12O8/c1-28(42(51)64)56-47(69)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)59-43(65)29(2)57-44(66)40(27-36-12-6-7-21-54-36)61-46(68)39(25-31-16-19-35(50)20-17-31)60-45(67)38(58-30(3)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,64)(H,56,69)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,61,68)(H4,52,53,55)/t28-,29-,37+,38-,39+,40+,41+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090730
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61ClN10O8/c1-29(43(52)62)54-48(67)42-15-10-24-60(42)49(68)38(14-6-8-22-51)57-44(63)30(2)55-45(64)41(28-37-13-7-9-23-53-37)59-47(66)40(26-32-17-20-36(50)21-18-32)58-46(65)39(56-31(3)61)27-33-16-19-34-11-4-5-12-35(34)25-33/h4-5,7,9,11-13,16-21,23,25,29-30,38-42H,6,8,10,14-15,22,24,26-28,51H2,1-3H3,(H2,52,62)(H,54,67)(H,55,64)(H,56,61)(H,57,63)(H,58,65)(H,59,66)/t29-,30-,38+,39-,40+,41+,42+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50133022
PNG
(CHEMBL413854 | Compound GnRH-PpIX)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCc1c(C)c2cc3[nH]c(cc4cc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)c(C=C)c3C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C1CC[C@H](N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C95H119N21O16/c1-9-60-50(5)55-37-56(60)39-71-53(8)63(27-32-85(122)123)76(106-71)43-75-62(52(7)73(108-75)42-72-51(6)61(10-2)74(38-55)107-72)18-15-22-83(120)100-33-14-13-20-68(88(126)112-77(35-49(3)4)90(128)110-66(21-16-34-101-95(97)98)86(124)67-28-29-69(105-67)87(125)103-46-82(96)119)111-91(129)78(36-54-23-25-59(118)26-24-54)113-94(132)81(47-117)116-92(130)79(40-57-44-102-65-19-12-11-17-64(57)65)114-93(131)80(41-58-45-99-48-104-58)115-89(127)70-30-31-84(121)109-70/h9-12,17,19,23-26,37-39,42-45,48-49,66-70,77-81,102,105,107-108,117-118H,1-2,13-16,18,20-22,27-36,40-41,46-47H2,3-8H3,(H2,96,119)(H,99,104)(H,100,120)(H,103,125)(H,109,121)(H,110,128)(H,111,129)(H,112,126)(H,113,132)(H,114,131)(H,115,127)(H,116,130)(H,122,123)(H4,97,98,101)/b55-38+,56-39+,71-39-,72-42-,73-42-,74-38-,75-43-,76-43-/t66-,67?,68-,69-,70?,77-,78-,79-,80-,81-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Ability to bind to Gonadotropin-releasing hormone receptor was evaluated invitro by displacement assay using [125I]-[D-Lys6]-GnRH as radioligand


J Med Chem 46: 3965-74 (2003)


Article DOI: 10.1021/jm020535y
BindingDB Entry DOI: 10.7270/Q2N58KR5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090734
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H60ClN11O9/c1-28(42(51)63)55-47(68)41-14-9-23-61(41)48(69)37(13-8-22-54-49(52)70)58-43(64)29(2)56-44(65)40(27-36-12-6-7-21-53-36)60-46(67)39(25-31-16-19-35(50)20-17-31)59-45(66)38(57-30(3)62)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,63)(H,55,68)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,60,67)(H3,52,54,70)/t28-,29-,37?,38-,39+,40+,41+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090723
PNG
(1-{2-[2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C55H65ClN12O9/c1-32(48(57)71)62-53(76)47-13-8-26-68(47)54(77)42(12-7-25-61-55(58)59)64-50(73)44(29-35-17-22-41(70)23-18-35)66-52(75)46(31-40-11-5-6-24-60-40)67-51(74)45(28-34-15-20-39(56)21-16-34)65-49(72)43(63-33(2)69)30-36-14-19-37-9-3-4-10-38(37)27-36/h3-6,9-11,14-24,27,32,42-47,70H,7-8,12-13,25-26,28-31H2,1-2H3,(H2,57,71)(H,62,76)(H,63,69)(H,64,73)(H,65,72)(H,66,75)(H,67,74)(H4,58,59,61)/t32-,42+,43-,44-,45+,46+,47+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090752
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61ClN12O8/c1-28(42(51)64)56-47(69)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)59-43(65)29(2)57-44(66)40(27-36-12-6-7-21-54-36)61-46(68)39(25-31-16-19-35(50)20-17-31)60-45(67)38(58-30(3)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,64)(H,56,69)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,61,68)(H4,52,53,55)/t28-,29+,37+,38-,39+,40+,41+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090728
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61N11O8/c1-30(43(50)63)55-47(67)41-20-12-24-60(41)48(68)37(19-11-23-53-49(51)52)57-42(62)29-54-44(64)38(26-32-13-5-3-6-14-32)58-46(66)40(27-33-15-7-4-8-16-33)59-45(65)39(56-31(2)61)28-34-21-22-35-17-9-10-18-36(35)25-34/h3-10,13-18,21-22,25,30,37-41H,11-12,19-20,23-24,26-29H2,1-2H3,(H2,50,63)(H,54,64)(H,55,67)(H,56,61)(H,57,62)(H,58,66)(H,59,65)(H4,51,52,53)/t30-,37+,38+,39-,40+,41+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090725
PNG
(1-{2-[2-({2-[2-(2-Acetylamino-3-naphthalen-2-yl-pr...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CN(C)C(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61ClN12O8/c1-29(43(51)65)56-46(68)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)58-42(64)28-61(3)47(69)40(27-36-12-6-7-21-54-36)60-45(67)39(25-31-16-19-35(50)20-17-31)59-44(66)38(57-30(2)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,29,37-41H,8-9,13-14,22-23,25-28H2,1-3H3,(H2,51,65)(H,56,68)(H,57,63)(H,58,64)(H,59,66)(H,60,67)(H4,52,53,55)/t29-,37+,38-,39+,40+,41+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM36551
PNG
(Chelator, M30 | US9034303, M30)
Show SMILES CN(CC#C)Cc1ccc(O)c2ncccc12
Show InChI InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
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n/an/a 37n/an/an/an/a7.437



The Weizmann Institute of Science



Assay Description
Inhibition of MAO activity in rat brain homogenates.


ACS Chem Biol 5: 603-10 (2010)


Article DOI: 10.1021/cb900264w
BindingDB Entry DOI: 10.7270/Q2959FX1
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090737
PNG
(1-[2-(3-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CCNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61ClN12O8/c1-29(43(51)65)57-47(69)41-13-8-24-62(41)48(70)37(12-7-22-56-49(52)53)59-42(64)20-23-55-44(66)40(28-36-11-5-6-21-54-36)61-46(68)39(26-31-15-18-35(50)19-16-31)60-45(67)38(58-30(2)63)27-32-14-17-33-9-3-4-10-34(33)25-32/h3-6,9-11,14-19,21,25,29,37-41H,7-8,12-13,20,22-24,26-28H2,1-2H3,(H2,51,65)(H,55,66)(H,57,69)(H,58,63)(H,59,64)(H,60,67)(H,61,68)(H4,52,53,56)/t29-,37+,38-,39+,40+,41+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090727
PNG
(1-{2-[(1-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pr...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C51H63ClN12O8/c1-30(43(53)66)58-47(70)42-14-8-25-64(42)48(71)38(13-7-24-57-50(54)55)62-49(72)51(21-9-22-51)63-46(69)41(29-37-12-5-6-23-56-37)61-45(68)40(27-32-16-19-36(52)20-17-32)60-44(67)39(59-31(2)65)28-33-15-18-34-10-3-4-11-35(34)26-33/h3-6,10-12,15-20,23,26,30,38-42H,7-9,13-14,21-22,24-25,27-29H2,1-2H3,(H2,53,66)(H,58,70)(H,59,65)(H,60,67)(H,61,68)(H,62,72)(H,63,69)(H4,54,55,57)/t30-,38+,39-,40+,41+,42+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090747
PNG
(1-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-propio...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H47ClN8O7/c1-25(38(44)54)47-42(58)36-11-7-19-51(36)37(53)24-46-39(55)35(23-32-10-5-6-18-45-32)50-41(57)34(21-27-13-16-31(43)17-14-27)49-40(56)33(48-26(2)52)22-28-12-15-29-8-3-4-9-30(29)20-28/h3-6,8-10,12-18,20,25,33-36H,7,11,19,21-24H2,1-2H3,(H2,44,54)(H,46,55)(H,47,58)(H,48,52)(H,49,56)(H,50,57)/t25-,33-,34+,35+,36+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090744
PNG
(1-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-propio...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C46H56ClN11O7/c1-27(40(48)60)53-44(64)39-13-8-22-58(39)45(65)35(12-7-21-52-46(49)50)55-43(63)38(26-34-11-5-6-20-51-34)57-42(62)37(24-29-15-18-33(47)19-16-29)56-41(61)36(54-28(2)59)25-30-14-17-31-9-3-4-10-32(31)23-30/h3-6,9-11,14-20,23,27,35-39H,7-8,12-13,21-22,24-26H2,1-2H3,(H2,48,60)(H,53,64)(H,54,59)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t27-,35-,36-,37+,38+,39+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090750
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C52H67ClN14O9/c1-30(44(54)69)61-49(74)43-15-9-25-67(43)50(75)39(14-8-24-60-52(57)76)64-45(70)38(13-7-23-59-51(55)56)63-48(73)42(29-37-12-5-6-22-58-37)66-47(72)41(27-32-17-20-36(53)21-18-32)65-46(71)40(62-31(2)68)28-33-16-19-34-10-3-4-11-35(34)26-33/h3-6,10-12,16-22,26,30,38-43H,7-9,13-15,23-25,27-29H2,1-2H3,(H2,54,69)(H,61,74)(H,62,68)(H,63,73)(H,64,70)(H,65,71)(H,66,72)(H4,55,56,59)(H3,57,60,76)/t30-,38-,39?,40-,41+,42+,43+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090739
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-30(2)25-40(46(68)61-39(14-9-23-58-52(55)56)51(73)65-24-10-15-44(65)50(72)59-31(3)45(54)67)62-49(71)43(29-38-13-7-8-22-57-38)64-48(70)42(27-33-17-20-37(53)21-18-33)63-47(69)41(60-32(4)66)28-34-16-19-35-11-5-6-12-36(35)26-34/h5-8,11-13,16-22,26,30-31,39-44H,9-10,14-15,23-25,27-29H2,1-4H3,(H2,54,67)(H,59,72)(H,60,66)(H,61,68)(H,62,71)(H,63,69)(H,64,70)(H4,55,56,58)/t31-,39+,40-,41-,42+,43+,44+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090733
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-30(2)25-40(46(68)61-39(14-9-23-58-52(55)56)51(73)65-24-10-15-44(65)50(72)59-31(3)45(54)67)62-49(71)43(29-38-13-7-8-22-57-38)64-48(70)42(27-33-17-20-37(53)21-18-33)63-47(69)41(60-32(4)66)28-34-16-19-35-11-5-6-12-36(35)26-34/h5-8,11-13,16-22,26,30-31,39-44H,9-10,14-15,23-25,27-29H2,1-4H3,(H2,54,67)(H,59,72)(H,60,66)(H,61,68)(H,62,71)(H,63,69)(H,64,70)(H4,55,56,58)/t31-,39+,40+,41-,42+,43+,44+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090746
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES CCCCC(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C49H60ClN9O8/c1-5-6-15-38(49(67)59-24-11-16-42(59)48(66)53-29(2)43(51)61)56-44(62)30(3)54-45(63)41(28-37-14-9-10-23-52-37)58-47(65)40(26-32-18-21-36(50)22-19-32)57-46(64)39(55-31(4)60)27-33-17-20-34-12-7-8-13-35(34)25-33/h7-10,12-14,17-23,25,29-30,38-42H,5-6,11,15-16,24,26-28H2,1-4H3,(H2,51,61)(H,53,66)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,58,65)/t29-,30-,38?,39-,40+,41+,42+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090738
PNG
(Ac-D-Nal2-D-Cpa-D-Pal-Pro-Arg-Pro-D-Ala-NH2 | CHEM...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C51H63ClN12O8/c1-30(44(53)66)58-47(69)42-14-8-24-63(42)49(71)38(13-7-23-57-51(54)55)60-48(70)43-15-9-25-64(43)50(72)41(29-37-12-5-6-22-56-37)62-46(68)40(27-32-17-20-36(52)21-18-32)61-45(67)39(59-31(2)65)28-33-16-19-34-10-3-4-11-35(34)26-33/h3-6,10-12,16-22,26,30,38-43H,7-9,13-15,23-25,27-29H2,1-2H3,(H2,53,66)(H,58,69)(H,59,65)(H,60,70)(H,61,67)(H,62,68)(H4,54,55,57)/t30-,38+,39-,40+,41+,42+,43+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090743
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES CC(C)NCCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C52H67ClN10O8/c1-31(2)55-24-11-9-16-41(52(71)63-26-12-17-45(63)51(70)57-32(3)46(54)65)60-47(66)33(4)58-48(67)44(30-40-15-8-10-25-56-40)62-50(69)43(28-35-19-22-39(53)23-20-35)61-49(68)42(59-34(5)64)29-36-18-21-37-13-6-7-14-38(37)27-36/h6-8,10,13-15,18-23,25,27,31-33,41-45,55H,9,11-12,16-17,24,26,28-30H2,1-5H3,(H2,54,65)(H,57,70)(H,58,67)(H,59,64)(H,60,66)(H,61,68)(H,62,69)/t32-,33-,41+,42-,43+,44+,45+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090729
PNG
(1-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-propio...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C46H56ClN11O7/c1-27(40(48)60)53-44(64)39-13-8-22-58(39)45(65)35(12-7-21-52-46(49)50)55-43(63)38(26-34-11-5-6-20-51-34)57-42(62)37(24-29-15-18-33(47)19-16-29)56-41(61)36(54-28(2)59)25-30-14-17-31-9-3-4-10-32(31)23-30/h3-6,9-11,14-20,23,27,35-39H,7-8,12-13,21-22,24-26H2,1-2H3,(H2,48,60)(H,53,64)(H,54,59)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t27-,35+,36-,37+,38+,39+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090749
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C53H61ClN12O8/c1-31(46(55)68)60-51(73)45-17-10-26-66(45)52(74)41(16-9-25-59-53(56)57)63-47(69)39-14-5-6-15-40(39)62-50(72)44(30-38-13-7-8-24-58-38)65-49(71)43(28-33-19-22-37(54)23-20-33)64-48(70)42(61-32(2)67)29-34-18-21-35-11-3-4-12-36(35)27-34/h3-8,11-15,18-24,27,31,41-45H,9-10,16-17,25-26,28-30H2,1-2H3,(H2,55,68)(H,60,73)(H,61,67)(H,62,72)(H,63,69)(H,64,70)(H,65,71)(H4,56,57,59)/t31-,41+,42-,43+,44+,45+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090751
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-phenyl-propionylami...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C45H59N11O8/c1-28(39(46)59)51-43(63)37-21-13-23-56(37)44(64)33(20-12-22-49-45(47)48)53-38(58)27-50-40(60)34(24-30-14-6-3-7-15-30)54-42(62)36(26-32-18-10-5-11-19-32)55-41(61)35(52-29(2)57)25-31-16-8-4-9-17-31/h3-11,14-19,28,33-37H,12-13,20-27H2,1-2H3,(H2,46,59)(H,50,60)(H,51,63)(H,52,57)(H,53,58)(H,54,62)(H,55,61)(H4,47,48,49)/t28-,33+,34+,35-,36+,37+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090753
PNG
(1-[2-(2-{2-[2-(2-Amino-3-naphthalen-2-yl-propionyl...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C47H59N11O7/c1-29(41(49)60)54-45(64)39-19-11-23-58(39)46(65)36(18-10-22-52-47(50)51)55-40(59)28-53-43(62)37(26-30-12-4-2-5-13-30)57-44(63)38(27-31-14-6-3-7-15-31)56-42(61)35(48)25-32-20-21-33-16-8-9-17-34(33)24-32/h2-9,12-17,20-21,24,29,35-39H,10-11,18-19,22-23,25-28,48H2,1H3,(H2,49,60)(H,53,62)(H,54,64)(H,55,59)(H,56,61)(H,57,63)(H4,50,51,52)/t29-,35-,36+,37+,38+,39+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090735
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-1-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61N11O8/c1-30(43(50)63)55-47(67)41-23-13-25-60(41)48(68)37(22-12-24-53-49(51)52)57-42(62)29-54-44(64)38(26-32-14-5-3-6-15-32)58-45(65)39(27-33-16-7-4-8-17-33)59-46(66)40(56-31(2)61)28-35-20-11-19-34-18-9-10-21-36(34)35/h3-11,14-21,30,37-41H,12-13,22-29H2,1-2H3,(H2,50,63)(H,54,64)(H,55,67)(H,56,61)(H,57,62)(H,58,65)(H,59,66)(H4,51,52,53)/t30-,37+,38+,39+,40-,41+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090740
PNG
(1-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O
Show InChI InChI=1S/C47H60N12O8/c1-28(41(48)62)54-45(66)39-20-12-22-59(39)46(67)35(19-11-21-51-47(49)50)56-40(61)27-53-42(63)36(23-30-13-5-3-6-14-30)57-43(64)37(24-31-15-7-4-8-16-31)58-44(65)38(55-29(2)60)25-32-26-52-34-18-10-9-17-33(32)34/h3-10,13-18,26,28,35-39,52H,11-12,19-25,27H2,1-2H3,(H2,48,62)(H,53,63)(H,54,66)(H,55,60)(H,56,61)(H,57,64)(H,58,65)(H4,49,50,51)/t28-,35+,36+,37+,38-,39+/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50279266
PNG
(5-(4-propargyl-piperazin-1-ylmethyl)-8-hydroxyquin...)
Show SMILES CN(C)C(=O)Oc1ccc(CN2CCN(CC#C)CC2)c2cccnc12
Show InChI InChI=1S/C20H24N4O2/c1-4-10-23-11-13-24(14-12-23)15-16-7-8-18(26-20(25)22(2)3)19-17(16)6-5-9-21-19/h1,5-9H,10-15H2,2-3H3
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n/an/a 500n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain homogenates by Ellman's method


J Med Chem 52: 4095-8 (2009)


Article DOI: 10.1021/jm900504c
BindingDB Entry DOI: 10.7270/Q2VQ32K6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM36552
PNG
(Prochelators, 2)
Show SMILES CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
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n/an/a 520n/an/an/an/a7.437



The Weizmann Institute of Science



Assay Description
Inhibition of AChE and BChE activity in rat brain homogenates using Ellman's method.


ACS Chem Biol 5: 603-10 (2010)


Article DOI: 10.1021/cb900264w
BindingDB Entry DOI: 10.7270/Q2959FX1
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090742
PNG
(1-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-propio...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C46H56ClN9O7/c1-28(41(49)58)51-45(62)40-14-9-23-56(40)46(63)36(13-5-7-21-48)53-44(61)39(27-35-12-6-8-22-50-35)55-43(60)38(25-30-16-19-34(47)20-17-30)54-42(59)37(52-29(2)57)26-31-15-18-32-10-3-4-11-33(32)24-31/h3-4,6,8,10-12,15-20,22,24,28,36-40H,5,7,9,13-14,21,23,25-27,48H2,1-2H3,(H2,49,58)(H,51,62)(H,52,57)(H,53,61)(H,54,59)(H,55,60)/t28-,36+,37-,38+,39+,40+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
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