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PubMed code 10956190

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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)		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)		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)		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)		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)		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)		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
* indicates data uncertainty>20%