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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for UniProtKB: P20789   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:38:37:35:31.32.33,39:29:35:31.32.33,28:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,39:29:31.38.32:36.34.35,28:29:35:31.32.33,33:32:29:36.34.35,33:34:29:31.38.32,(-7.63,.4,;-6.3,-.36,;-6.29,-1.9,;-7.62,-2.68,;-7.62,-4.22,;-6.29,-4.99,;-4.95,-4.22,;-3.61,-4.99,;-3.61,-6.53,;-4.95,-2.67,;-3.63,-1.9,;-2.22,-2.52,;-1.19,-1.37,;-1.97,-.04,;-3.47,-.36,;-4.62,.66,;-6.08,.17,;-7.22,1.19,;-6.91,2.71,;-5.45,3.19,;-5.14,4.69,;-3.68,5.16,;-3.37,6.67,;-2.53,4.14,;-2.85,2.64,;-4.31,2.16,;.35,-1.53,;.98,-2.93,;1.24,-.27,;2.78,-.43,;3.43,1.2,;4.84,1.23,;6.02,2.07,;5.46,3.5,;3.95,3.52,;2.87,2.58,;3.44,1.99,;4.02,.52,;5.54,.51,;3.42,-1.84,;2.51,-3.09,;4.95,-2,)|
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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PubMed
n/an/a 82n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat brain NTR1


J Med Chem 62: 8357-8363 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00340
BindingDB Entry DOI: 10.7270/Q2HQ438V
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)
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)
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)
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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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
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50280251
PNG
(4-Methyl-N-[2-(3-oxo-1-phenyl-1,3-dihydro-isobenzo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCNC1(OC(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-17-11-13-19(14-12-17)30(27,28)25-16-15-24-23(18-7-3-2-4-8-18)21-10-6-5-9-20(21)22(26)29-23/h2-14,24-25H,15-16H2,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required for the displacement of [3H]-NT from neurotensin receptor in rat


Bioorg Med Chem Lett 2: 1535-1540 (1992)


Article DOI: 10.1016/S0960-894X(00)80423-0
BindingDB Entry DOI: 10.7270/Q2KW5FZP
More data for this
Ligand-Target Pair