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Compile Data Set for Download or QSAR

Found 2302 hits Enz. Inhib. hit(s) with Target = 'NT' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
NT


(HUMAN)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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PubMed
0.280n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 802-12 (1997)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (human))
BDBM209866
PNG
(PF-06651600)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2
PDB
MMDB

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0.545n/an/an/an/an/an/an/an/a



Pfizer Worldwide R&D



Assay Description
Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342238
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-3-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-29(37(58)59)19-22(2)3)50-33(54)28(20-24-12-14-26(52)15-13-24)48-34(55)30-11-8-18-51(30)36(57)27(10-7-17-46-39(43)44)47-31(53)21-25(40)9-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50159155
PNG
(CHEMBL3786852)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
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0.740n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342241
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-(2-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-25(4)33(36(51)44-30(38(53)54)21-24(2)3)45-34(49)29(22-26-13-15-27(47)16-14-26)43-35(50)31-12-10-20-46(31)37(52)28(11-6-7-17-39)42-32(48)23-41-19-9-8-18-40/h13-16,24-25,28-31,33,41,47H,5-12,17-23,39-40H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t25-,28-,29-,30-,31-,33-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50048908
PNG
(CHEMBL415788)
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](CC(C)C)C(O)=O
Show InChI InChI=1/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-/s2
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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50159156
PNG
(CHEMBL3786291)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
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2.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342244
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-6-amino-2-((S)-2,6...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N8O8/c1-5-26(4)34(36(51)44-31(39(54)55)23-25(2)3)45-33(49)24-46(22-18-27-14-16-28(48)17-15-27)38(53)32-13-10-21-47(32)37(52)30(12-7-9-20-41)43-35(50)29(42)11-6-8-19-40/h14-17,25-26,29-32,34,48H,5-13,18-24,40-42H2,1-4H3,(H,43,50)(H,44,51)(H,45,49)(H,54,55)/t26-,29-,30-,31-,32-,34-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342245
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N10O8/c1-5-25(4)33(35(53)46-30(38(56)57)22-24(2)3)47-32(51)23-48(21-17-26-13-15-27(50)16-14-26)37(55)31-12-9-20-49(31)36(54)29(11-8-19-44-39(42)43)45-34(52)28(41)10-6-7-18-40/h13-16,24-25,28-31,33,50H,5-12,17-23,40-41H2,1-4H3,(H,45,52)(H,46,53)(H,47,51)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,33-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342247
PNG
((S)-2-((3S,4S)-3-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](CC(=O)N[C@@H](CC(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)28(21-32(53)47-30(37(58)59)19-22(2)3)49-34(55)29(20-24-12-14-25(52)15-13-24)50-35(56)31-11-8-18-51(31)36(57)27(10-7-17-46-39(43)44)48-33(54)26(40)9-6-16-45-38(41)42/h12-15,22-23,26-31,52H,5-11,16-21,40H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342240
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((R)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342242
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342248
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-6-amino-2-((S)-2-a...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N10O8/c1-5-25(4)33(35(53)46-30(38(56)57)22-24(2)3)47-32(51)23-48(21-17-26-13-15-27(50)16-14-26)37(55)31-12-9-20-49(31)36(54)29(11-6-7-18-40)45-34(52)28(41)10-8-19-44-39(42)43/h13-16,24-25,28-31,33,50H,5-12,17-23,40-41H2,1-4H3,(H,45,52)(H,46,53)(H,47,51)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,33-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342251
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-24(4)32(34(55)48-29(37(58)59)21-23(2)3)49-31(53)22-50(20-16-25-12-14-26(52)15-13-25)36(57)30-11-8-19-51(30)35(56)28(10-7-18-46-39(43)44)47-33(54)27(40)9-6-17-45-38(41)42/h12-15,23-24,27-30,32,52H,5-11,16-22,40H2,1-4H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t24-,27-,28-,29-,30-,32-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165144
PNG
(CHEMBL3798753)
Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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14n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342243
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-3-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(36(57)49-29(37(58)59)19-22(2)3)50-34(55)28(20-24-12-14-26(52)15-13-24)48-35(56)30-11-8-18-51(30)31(53)21-25(9-6-16-45-38(41)42)47-33(54)27(40)10-7-17-46-39(43)44/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342253
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccc(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/C39H66N12O8/c1-5-23(4)31(35(56)49-29(37(58)59)21-22(2)3)50-33(54)27(17-14-24-12-15-25(52)16-13-24)47-34(55)30-11-8-20-51(30)36(57)28(10-7-19-46-39(43)44)48-32(53)26(40)9-6-18-45-38(41)42/h12-13,15-16,22-23,26-31,52H,5-11,14,17-21,40H2,1-4H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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17n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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18n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165146
PNG
(CHEMBL3798795)
Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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18n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342255
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O7/c1-5-25(4)32(34(54)48-29(37(57)58)22-24(2)3)49-31(52)23-50(21-17-26-12-7-6-8-13-26)36(56)30-16-11-20-51(30)35(55)28(15-10-19-46-39(43)44)47-33(53)27(40)14-9-18-45-38(41)42/h6-8,12-13,24-25,27-30,32H,5,9-11,14-23,40H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,57,58)(H4,41,42,45)(H4,43,44,46)/t25-,27-,28-,29-,30-,32-/m0/s1
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20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342254
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-(2-((S)-2,6-diamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN(CCCCN)C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-25(4)33(36(51)43-30(38(53)54)21-24(2)3)44-34(49)29(22-26-13-15-27(47)16-14-26)42-35(50)31-12-10-20-46(31)32(48)23-45(19-9-8-18-40)37(52)28(41)11-6-7-17-39/h13-16,24-25,28-31,33,47H,5-12,17-23,39-41H2,1-4H3,(H,42,50)(H,43,51)(H,44,49)(H,53,54)/t25-,28-,29-,30-,31-,33-/m0/s1
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21n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342252
PNG
(CHEMBL1766924 | H-Arg-Ala-Pro-Tyr-Ile-Leu-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H57N9O8/c1-6-20(4)28(32(49)42-26(34(51)52)17-19(2)3)43-30(47)25(18-22-11-13-23(45)14-12-22)41-31(48)27-10-8-16-44(27)33(50)21(5)40-29(46)24(36)9-7-15-39-35(37)38/h11-14,19-21,24-28,45H,6-10,15-18,36H2,1-5H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)(H4,37,38,39)/t20-,21-,24-,25-,26-,27-,28-/m0/s1
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24n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342250
PNG
((S)-3-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(36(58)47-25(19-22(2)3)21-31(53)54)50-34(56)29(20-24-12-14-26(52)15-13-24)49-35(57)30-11-8-18-51(30)37(59)28(10-7-17-46-39(43)44)48-33(55)27(40)9-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,53,54)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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25n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165149
PNG
(CHEMBL3799691)
Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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27n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342257
PNG
((S)-2-((S)-2-((S)-3-((S)-1-((S)-5-guanidino-2-((S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)(C)C)N=C(C)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C45H71N11O6/c1-27(2)24-35(42(61)62)55-39(58)36(26-45(5,6)7)52-29(4)34(25-31-17-10-16-30-15-8-9-18-32(30)31)54-40(59)37-20-13-23-56(37)41(60)33(19-12-22-51-44(48)49)53-38(57)28(3)14-11-21-50-43(46)47/h8-10,15-18,27-28,33-37H,11-14,19-26H2,1-7H3,(H,53,57)(H,54,59)(H,55,58)(H,61,62)(H4,46,47,50)(H4,48,49,51)/t28-,33-,34-,35-,36-,37-/m0/s1
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34n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342258
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H68N12O8/c1-6-25(4)33(35(55)49-30(38(58)59)22-24(2)3)50-32(53)23-51(21-17-26-13-15-27(60-5)16-14-26)37(57)31-12-9-20-52(31)36(56)29(11-8-19-47-40(44)45)48-34(54)28(41)10-7-18-46-39(42)43/h13-16,24-25,28-31,33H,6-12,17-23,41H2,1-5H3,(H,48,54)(H,49,55)(H,50,53)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t25-,28-,29-,30-,31-,33-/m0/s1
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38n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165137
PNG
(CHEMBL3800324)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
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42n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342249
PNG
((S)-2-((2S,3S)-2-((S)-3-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-29(37(58)59)19-22(2)3)50-31(53)21-25(20-24-12-14-26(52)15-13-24)47-34(55)30-11-8-18-51(30)36(57)28(10-7-17-46-39(43)44)48-33(54)27(40)9-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,55)(H,48,54)(H,49,56)(H,50,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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44n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165136
PNG
(CHEMBL3800429)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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46n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342260
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((R)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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-/m0/s1
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51n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165143
PNG
(CHEMBL3798555)
Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
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53n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342246
PNG
(CHEMBL1766923 | H-Ala-Arg-Pro-Tyr-Ile-Leu-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H57N9O8/c1-6-20(4)28(32(49)42-26(34(51)52)17-19(2)3)43-30(47)25(18-22-11-13-23(45)14-12-22)41-31(48)27-10-8-16-44(27)33(50)24(40-29(46)21(5)36)9-7-15-39-35(37)38/h11-14,19-21,24-28,45H,6-10,15-18,36H2,1-5H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)(H4,37,38,39)/t20-,21-,24-,25-,26-,27-,28-/m0/s1
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56n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342256
PNG
(CHEMBL1766925 | H-Arg-Arg-Ala-Tyr-Ile-Leu-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C36H62N12O8/c1-6-20(4)28(33(54)47-27(34(55)56)17-19(2)3)48-32(53)26(18-22-11-13-23(49)14-12-22)46-29(50)21(5)44-31(52)25(10-8-16-43-36(40)41)45-30(51)24(37)9-7-15-42-35(38)39/h11-14,19-21,24-28,49H,6-10,15-18,37H2,1-5H3,(H,44,52)(H,45,51)(H,46,50)(H,47,54)(H,48,53)(H,55,56)(H4,38,39,42)(H4,40,41,43)/t20-,21-,24-,25-,26-,27-,28-/m0/s1
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63n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50281786
PNG
(2-{(S)-2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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)=O
Show InChI InChI=1S/C35H58N12O8/c1-19(2)17-26(33(54)55)46-28(49)20(3)43-30(51)25(18-21-10-12-22(48)13-11-21)45-31(52)27-9-6-16-47(27)32(53)24(8-5-15-42-35(39)40)44-29(50)23(36)7-4-14-41-34(37)38/h10-13,19-20,23-27,48H,4-9,14-18,36H2,1-3H3,(H,43,51)(H,44,50)(H,45,52)(H,46,49)(H,54,55)(H4,37,38,41)(H4,39,40,42)/t20-,23-,24-,25-,26-,27-/m0/s1
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63n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165145
PNG
(CHEMBL3800455)
Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
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63n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165150
PNG
(CHEMBL3799027)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)c(C)c1)N2C
Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3
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64n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165148
PNG
(CHEMBL3797640)
Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
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79n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342261
PNG
(CHEMBL1766926 | H-Arg-Arg-Pro-Ala-Ile-Leu-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H60N12O7/c1-6-18(4)24(28(48)42-22(30(50)51)16-17(2)3)43-25(45)19(5)40-27(47)23-12-9-15-44(23)29(49)21(11-8-14-39-32(36)37)41-26(46)20(33)10-7-13-38-31(34)35/h17-24H,6-16,33H2,1-5H3,(H,40,47)(H,41,46)(H,42,48)(H,43,45)(H,50,51)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-,24-/m0/s1
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83n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
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91n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342262
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-g...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H65N13O7/c1-5-24(4)31(33(54)48-28(36(57)58)21-23(2)3)49-30(52)22-50(20-15-25-11-6-7-16-44-25)35(56)29-14-10-19-51(29)34(55)27(13-9-18-46-38(42)43)47-32(53)26(39)12-8-17-45-37(40)41/h6-7,11,16,23-24,26-29,31H,5,8-10,12-15,17-22,39H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)(H,57,58)(H4,40,41,45)(H4,42,43,46)/t24-,26-,27-,28-,29-,31-/m0/s1
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100n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
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138n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342263
PNG
((S)-2-((2S,3S)-2-((R)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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-/m0/s1
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140n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342259
PNG
((S)-2-((2S,3S)-2-((S)-2-(2-((S)-1-((S)-2-((S)-2-am...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-30(37(58)59)19-22(2)3)50-34(55)29(20-24-12-14-26(52)15-13-24)47-31(53)21-25-9-8-18-51(25)36(57)28(11-7-17-46-39(43)44)48-33(54)27(40)10-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,53)(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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210n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165128
PNG
(CHEMBL3799629)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
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338n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)

More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342264
PNG
((S)-2-((2S,3S)-2-((S)-2-((R)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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-/m0/s1
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590n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342266
PNG
((S)-2-((2R,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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+/m0/s1
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690n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BMX


Citation and Details
More data for this
Ligand-Target Pair
NT


(HUMAN)
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50342267
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-6-amino-2-((S)-2,6...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-25(4)33(35(50)43-30(38(53)54)21-24(2)3)44-32(48)23-45(22-26-14-16-27(47)17-15-26)37(52)31-13-10-20-46(31)36(51)29(12-7-9-19-40)42-34(49)28(41)11-6-8-18-39/h14-17,24-25,28-31,33,47H,5-13,18-23,39-41H2,1-4H3,(H,42,49)(H,43,50)(H,44,48)(H,53,54)/t25-,28-,29-,30-,31-,33-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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