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SMILES: CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O

InChI Key: InChIKey=SXNKGENAHNQHOV-JNRWAQIZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50124146   
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


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 169n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing Galphaq-RlucII(121)/Gbeta1/GFP10-Ggamma1 assessed as Galpha-q stimulat...


J Med Chem 58: 7785-95 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitm...


J Med Chem 58: 7785-95 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 in Sprague-Dawley rat ileum assessed as inhibition of carbachol-induced contraction


J Med Chem 58: 7785-95 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 405n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

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B.MOAD
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PC sid
UniChem

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PubMed
n/an/a 94n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair