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Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 50000676   
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


(Homo sapiens)
BDBM50322368
PNG
((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Medical University of South Carolina Campus

Curated by ChEMBL


Assay Description
Binding affinity to human NTR2 by gamma counting


J Med Chem 53: 4623-32 (2010)


Article DOI: 10.1021/jm100092s
BindingDB Entry DOI: 10.7270/Q2DF6RDK
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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n/an/an/an/a 110n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
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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n/an/an/an/a 480n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
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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n/an/an/an/a 590n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
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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n/an/an/an/a 690n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
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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n/an/an/an/a 840n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50444943
PNG
(CHEMBL3099773)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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n/an/an/an/a>8.00E+4n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair