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BDBM50444953 CHEMBL3099780

SMILES: COc1cccc(OC)c1-c1nc(cn1-c1ccncc1)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=DGSICICPWTYPLC-XISACWJONA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444953   
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50444953
PNG
(CHEMBL3099780)
Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccncc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C23H26N4O5/c1-14(2)12-16(23(29)30)26-22(28)17-13-27(15-8-10-24-11-9-15)21(25-17)20-18(31-3)6-5-7-19(20)32-4/h5-11,13-14,16H,12H2,1-4H3,(H,26,28)(H,29,30)/t16-/s2
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Similars

Article
PubMed
n/an/an/an/a 6.60E+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 NTR1 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