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BDBM48942 MLS000093169::N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide::N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-2-isoxazoline-5-carboxamide::N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide::N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide::N-1,3-benzodioxol-5-yl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide::SMR000028797::cid_3237410

SMILES: CCn1ncc(C2=NOC(C2)C(=O)Nc2ccc3OCOc3c2)c1C

InChI Key: InChIKey=DURVLQNUNLKPFW-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 48942   
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
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM48942
PNG
(MLS000093169 | N-(1,3-benzodioxol-5-yl)-3-(1-ethyl...)
Show SMILES CCn1ncc(C2=NOC(C2)C(=O)Nc2ccc3OCOc3c2)c1C |t:6|
Show InChI InChI=1S/C17H18N4O4/c1-3-21-10(2)12(8-18-21)13-7-16(25-20-13)17(22)19-11-4-5-14-15(6-11)24-9-23-14/h4-6,8,16H,3,7,9H2,1-2H3,(H,19,22)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.0189n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair