BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 20 hits of kd data for polymerid = 50002474   
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


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.160n/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-NT binding to human striatal Neurotensin receptor 1

J Med Chem 47: 5587-90 (2004)


Article DOI: 10.1021/jm049644y
BindingDB Entry DOI: 10.7270/Q2ZP46VD
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50159216
PNG
(CHEMBL3785364)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1/i2T,7T;;;/t7?,28-,31-,32-,33-,34-,35-,37-;;;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.440n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to NTSR1 in human HT-29 cells after 2 hrs by liquid scintillation counting in presence of NTSR2 ligand (S)-2-((2S,3S)-2-(2-((S)-1-((...

J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
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](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.510n/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells

J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50159216
PNG
(CHEMBL3785364)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1/i2T,7T;;;/t7?,28-,31-,32-,33-,34-,35-,37-;;;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.510n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to NTSR1 in human HT-29 cells after 2 hrs by liquid scintillation counting

J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50159216
PNG
(CHEMBL3785364)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1/i2T,7T;;;/t7?,28-,31-,32-,33-,34-,35-,37-;;;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.580n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human NTSR1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting

J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
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](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.590n/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells

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 type 1


(Homo sapiens (Human))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.630n/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells

Bioorg Med Chem 16: 9359-68 (2008)


Article DOI: 10.1016/j.bmc.2008.08.051
BindingDB Entry DOI: 10.7270/Q2VT1T0Z
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50276350
PNG
(((N-methyl-Arg)-Lys-Pro-(L-neo-Trp)-(tert-Leu)-Leu...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r,wU:43.45,13.12,wD:29.29,2.1,47.49,25.26,(-8.1,-23.03,;-6.77,-22.26,;-5.43,-23.03,;-5.43,-24.57,;-6.77,-25.34,;-6.77,-26.88,;-8.1,-27.65,;-8.1,-29.19,;-9.43,-29.96,;-6.77,-29.96,;-4.1,-22.26,;-4.1,-20.72,;-2.77,-23.03,;-1.43,-22.26,;-1.43,-20.72,;-2.77,-19.95,;-2.77,-18.41,;-4.1,-17.64,;-4.1,-16.1,;-.1,-23.03,;1.24,-22.26,;-.1,-24.57,;-1.34,-25.48,;-.86,-26.95,;.68,-26.95,;1.16,-25.48,;2.62,-25,;2.94,-23.5,;3.77,-26.03,;5.3,-26.01,;6.1,-27.33,;5.35,-28.67,;3.81,-28.7,;3.07,-30.04,;3.86,-31.36,;5.42,-31.33,;6.47,-32.44,;7.86,-31.79,;7.66,-30.26,;6.15,-29.98,;6.05,-24.66,;5.26,-23.34,;7.59,-24.63,;8.33,-23.28,;9.87,-23.26,;10.67,-24.58,;10.62,-21.91,;12.16,-21.88,;12.95,-23.2,;14.49,-23.17,;15.29,-24.49,;15.24,-21.82,;12.91,-20.53,;12.11,-19.21,;14.45,-20.51,;7.54,-21.96,;6.81,-20.59,;6.2,-22.72,;8.89,-21.22,)|
Show InChI InChI=1S/C41H67N11O7/c1-24(2)22-30(39(58)59)50-37(56)33(41(3,4)5)51-35(54)29(23-26-13-9-12-25-17-20-46-32(25)26)49-36(55)31-16-11-21-52(31)38(57)28(14-7-8-18-42)48-34(53)27(45-6)15-10-19-47-40(43)44/h9,12-13,17,20,24,27-31,33,45-46H,7-8,10-11,14-16,18-19,21-23,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,47)/t27-,28-,29-,30-,31-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 1.55n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NTS1 in HEK293T cells by competitive binding assay

J Med Chem 52: 1514-7 (2009)


Article DOI: 10.1021/jm801481y
BindingDB Entry DOI: 10.7270/Q2M908JS
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509508
PNG
(CHEMBL4534768)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=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)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99|
Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.5n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509510
PNG
(CHEMBL4564746)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89|
Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.60n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells preincubated for 20 mins to 2 hrs followed by addition of NT (8 to 13)...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES 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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83|
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.80n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES 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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83|
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.90n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells preincubated for 20 mins to 2 hrs followed by addition of NT (8 to 13)...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES 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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83|
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.30n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound was...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509513
PNG
(CHEMBL4537266)
Show SMILES 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)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87|
Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.80n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509510
PNG
(CHEMBL4564746)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89|
Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.10n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/a 8.90n/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SR48692 from wild type human NTR1 expressed in HEK293 cells

Bioorg Med Chem 16: 9359-68 (2008)


Article DOI: 10.1016/j.bmc.2008.08.051
BindingDB Entry DOI: 10.7270/Q2VT1T0Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509508
PNG
(CHEMBL4534768)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=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)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99|
Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 10n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound was...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509510
PNG
(CHEMBL4564746)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=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)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89|
Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 15n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound was...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50509513
PNG
(CHEMBL4537266)
Show SMILES 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)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87|
Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 26n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound was...

ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50241512
PNG
(CHEMBL270332 | c(Lys-Lys-Pro-Tyr-Ile-Leu-Lys-Lys-P...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC |r|
Show InChI InChI=1S/C76H124N16O14/c1-9-47(7)63-73(103)87-57(41-45(3)4)67(97)81-53(21-11-15-35-77)65(95)83-56(24-14-18-38-80)76(106)92-40-20-26-62(92)72(102)86-60(44-50-29-33-52(94)34-30-50)70(100)90-64(48(8)10-2)74(104)88-58(42-46(5)6)68(98)82-54(22-12-16-36-78)66(96)84-55(23-13-17-37-79)75(105)91-39-19-25-61(91)71(101)85-59(69(99)89-63)43-49-27-31-51(93)32-28-49/h27-34,45-48,53-64,93-94H,9-26,35-44,77-80H2,1-8H3,(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,85,101)(H,86,102)(H,87,103)(H,88,104)(H,89,99)(H,90,100)/t47-,48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 150n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NTS1 in HEK293T cells by competitive binding assay

J Med Chem 52: 1514-7 (2009)


Article DOI: 10.1021/jm801481y
BindingDB Entry DOI: 10.7270/Q2M908JS
More data for this
Ligand-Target Pair