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BDBM218811 NTSR-H4 inhibitor, 1

SMILES: CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(O)=O

InChI Key: InChIKey=MEXUONWVFPDDGJ-LBPRGKRZSA-N

Data: 2 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 218811   
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 (NTSR1-H4)


(Rattus norvegicus (Rat))
BDBM218811
PNG
(NTSR-H4 inhibitor, 1)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C14H19ClN2O3/c1-9(2)7-12(13(18)19)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...


ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 (NTSR1-H4)


(Rattus norvegicus (Rat))
BDBM218811
PNG
(NTSR-H4 inhibitor, 1)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C14H19ClN2O3/c1-9(2)7-12(13(18)19)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...


ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair