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PubMed code 7699693

Compile data set for download or QSAR
Found 13 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
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50369070
PNG
(CHEMBL1793839)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H62N12O8/c1-3-24(2)33(37(58)51-31(39(60)61)23-25-10-5-4-6-11-25)52-35(56)30(22-26-15-17-27(54)18-16-26)50-36(57)32-14-9-21-53(32)38(59)29(13-8-20-48-41(45)46)49-34(55)28(42)12-7-19-47-40(43)44/h4-6,10-11,15-18,24,28-33,54H,3,7-9,12-14,19-23,42H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,43,44,47)(H4,45,46,48)/t24-,28+,29+,30+,31+,32+,33-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033671
PNG
((S)-2-{(R)-2-[2-({1-[2-(2-Amino-5-guanidino-pentan...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C41H62N12O8/c1-24(2)21-32(39(60)61)52-36(57)30(22-25-9-4-3-5-10-25)50-35(56)31(23-26-14-16-27(54)17-15-26)51-37(58)33-13-8-20-53(33)38(59)29(12-7-19-48-41(45)46)49-34(55)28(42)11-6-18-47-40(43)44/h3-5,9-10,14-17,24,28-33,54H,6-8,11-13,18-23,42H2,1-2H3,(H,49,55)(H,50,56)(H,51,58)(H,52,57)(H,60,61)(H4,43,44,47)(H4,45,46,48)/t28-,29-,30+,31-,32-,33-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033670
PNG
((S)-2-[(R)-5-({1-[2-(2-Amino-5-guanidino-pentanoyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-25(2)21-33(40(60)61)52-36(56)28(22-26-9-4-3-5-10-26)24-35(55)32(23-27-14-16-29(54)17-15-27)51-38(58)34-13-8-20-53(34)39(59)31(12-7-19-49-42(46)47)50-37(57)30(43)11-6-18-48-41(44)45/h3-5,9-10,14-17,25,28,30-34,54H,6-8,11-13,18-24,43H2,1-2H3,(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t28-,30?,31?,32?,33+,34?/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033677
PNG
((S,R)5-[1-{1-[2-[1-amino-4-amino(imino)methylamino...)
Show SMILES CCC(C)[C@@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)C[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-3-25(2)35(34(55)24-28(40(60)61)22-26-10-5-4-6-11-26)52-37(57)32(23-27-15-17-29(54)18-16-27)51-38(58)33-14-9-21-53(33)39(59)31(13-8-20-49-42(46)47)50-36(56)30(43)12-7-19-48-41(44)45/h4-6,10-11,15-18,25,28,30-33,35,54H,3,7-9,12-14,19-24,43H2,1-2H3,(H,50,56)(H,51,58)(H,52,57)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t25?,28-,30?,31?,32?,33?,35-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033667
PNG
((S,S)2-{1-[2-{1-[2-[1-amino-4-amino(imino)methylam...)
Show SMILES CCC(C)C(NC(C#N)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C39H65N13O7/c1-5-23(4)32(35(56)51-29(37(58)59)19-22(2)3)48-30(21-40)28(20-24-12-14-25(53)15-13-24)50-34(55)31-11-8-18-52(31)36(57)27(10-7-17-47-39(44)45)49-33(54)26(41)9-6-16-46-38(42)43/h12-15,22-23,26-32,48,53H,5-11,16-20,41H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t23?,26?,27?,28-,29?,30?,31?,32?/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT (neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033668
PNG
((R,S)5-[1-{1-[2-[1-amino-4-amino(imino)methylamino...)
Show SMILES CCC(C)[C@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)C[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-3-25(2)35(34(55)24-28(40(60)61)22-26-10-5-4-6-11-26)52-37(57)32(23-27-15-17-29(54)18-16-27)51-38(58)33-14-9-21-53(33)39(59)31(13-8-20-49-42(46)47)50-36(56)30(43)12-7-19-48-41(44)45/h4-6,10-11,15-18,25,28,30-33,35,54H,3,7-9,12-14,19-24,43H2,1-2H3,(H,50,56)(H,51,58)(H,52,57)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t25?,28-,30?,31?,32?,33?,35-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033675
PNG
((S)-2-[(S)-5-({1-[2-(2-Amino-5-guanidino-pentanoyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-25(2)21-33(40(60)61)52-36(56)28(22-26-9-4-3-5-10-26)24-35(55)32(23-27-14-16-29(54)17-15-27)51-38(58)34-13-8-20-53(34)39(59)31(12-7-19-49-42(46)47)50-37(57)30(43)11-6-18-48-41(44)45/h3-5,9-10,14-17,25,28,30-34,54H,6-8,11-13,18-24,43H2,1-2H3,(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t28-,30?,31?,32?,33-,34?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033678
PNG
((S,S)5-[1-{1-[2-[1-amino-4-amino(imino)methylamino...)
Show SMILES CCC(C)[C@@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)C[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-3-25(2)35(34(55)24-28(40(60)61)22-26-10-5-4-6-11-26)52-37(57)32(23-27-15-17-29(54)18-16-27)51-38(58)33-14-9-21-53(33)39(59)31(13-8-20-49-42(46)47)50-36(56)30(43)12-7-19-48-41(44)45/h4-6,10-11,15-18,25,28,30-33,35,54H,3,7-9,12-14,19-24,43H2,1-2H3,(H,50,56)(H,51,58)(H,52,57)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t25?,28-,30?,31?,32?,33?,35+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033679
PNG
((R,R)5-[1-{1-[2-[1-amino-4-amino(imino)methylamino...)
Show SMILES CCC(C)[C@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)C[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H63N11O8/c1-3-25(2)35(34(55)24-28(40(60)61)22-26-10-5-4-6-11-26)52-37(57)32(23-27-15-17-29(54)18-16-27)51-38(58)33-14-9-21-53(33)39(59)31(13-8-20-49-42(46)47)50-36(56)30(43)12-7-19-48-41(44)45/h4-6,10-11,15-18,25,28,30-33,35,54H,3,7-9,12-14,19-24,43H2,1-2H3,(H,50,56)(H,51,58)(H,52,57)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t25?,28-,30?,31?,32?,33?,35+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50369071
PNG
(CHEMBL1793838)
Show SMILES CC[C@@H](C)[C@@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H66N12O7/c1-5-23(4)31(34(54)49-29(36(56)57)19-22(2)3)46-21-25(20-24-12-14-26(51)15-13-24)47-33(53)30-11-8-18-50(30)35(55)28(10-7-17-45-38(42)43)48-32(52)27(39)9-6-16-44-37(40)41/h12-15,22-23,25,27-31,46,51H,5-11,16-21,39H2,1-4H3,(H,47,53)(H,48,52)(H,49,54)(H,56,57)(H4,40,41,44)(H4,42,43,45)/t23-,25+,27+,28+,29+,30+,31-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50369072
PNG
(CHEMBL1793837)
Show SMILES CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C41H64N12O7/c1-3-25(2)33(24-49-32(39(59)60)23-26-10-5-4-6-11-26)52-36(56)31(22-27-15-17-28(54)18-16-27)51-37(57)34-14-9-21-53(34)38(58)30(13-8-20-48-41(45)46)50-35(55)29(42)12-7-19-47-40(43)44/h4-6,10-11,15-18,25,29-34,49,54H,3,7-9,12-14,19-24,42H2,1-2H3,(H,50,55)(H,51,57)(H,52,56)(H,59,60)(H4,43,44,47)(H4,45,46,48)/t25-,29+,30+,31+,32+,33+,34+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50033674
PNG
((S,S)2-{1-[2-{1-[2-[1-amino-4-amino(imino)methylam...)
Show SMILES CCC(C)C(NC(C#N)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C39H65N13O7/c1-5-23(4)32(35(56)51-29(37(58)59)19-22(2)3)48-30(21-40)28(20-24-12-14-25(53)15-13-24)50-34(55)31-11-8-18-52(31)36(57)27(10-7-17-47-39(44)45)49-33(54)26(41)9-6-16-46-38(42)43/h12-15,22-23,26-32,48,53H,5-11,16-20,41H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t23?,26?,27?,28-,29?,30?,31?,32?/m0/s1
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UniChem

Similars
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
IC50 was measured as binding to rat cortex membranes using [3H]- NT (neurotensin) as tracer

J Med Chem 38: 1015-21 (1995)


BindingDB Entry DOI: 10.7270/Q2DZ08ZV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%