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BDBM76298 2-aminopropanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester;hydrochloride::2-aminopropionic acid [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] ester;hydrochloride::ALAPROCLATE HYDROCHLORIDE::Alaproclate::CHEMBL36591::MLS002153522::SMR001230852::[1-(4-chlorophenyl)-2-methyl-propan-2-yl] 2-azanylpropanoate;hydrochloride::[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate;hydrochloride::cid_11957454

SMILES: CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1

InChI Key: InChIKey=FZSPJBYOKQPKCD-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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 5 hits for monomerid = 76298   
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
Ionotropic glutamate receptor subunit Delta2


(Xenopus)
BDBM76298
PNG
(2-aminopropanoic acid [1-(4-chlorophenyl)-2-methyl...)
Show SMILES CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



State University of New York

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 740-8 (2003)


Article DOI: 10.1124/jpet.102.045799
BindingDB Entry DOI: 10.7270/Q2N878C5
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM76298
PNG
(2-aminopropanoic acid [1-(4-chlorophenyl)-2-methyl...)
Show SMILES CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RN369N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM76298
PNG
(2-aminopropanoic acid [1-(4-chlorophenyl)-2-methyl...)
Show SMILES CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of accumulation of [14C]-5-HT (5-HT) in mouse brain slices


J Med Chem 24: 1499-507 (1982)


BindingDB Entry DOI: 10.7270/Q2BG2N05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM76298
PNG
(2-aminopropanoic acid [1-(4-chlorophenyl)-2-methyl...)
Show SMILES CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of accumulation of (-)-[3H]-Norepinephrine (NA) in mouse brain slices


J Med Chem 24: 1499-507 (1982)


BindingDB Entry DOI: 10.7270/Q2BG2N05
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM76298
PNG
(2-aminopropanoic acid [1-(4-chlorophenyl)-2-methyl...)
Show SMILES CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WD3Z10
More data for this
Ligand-Target Pair