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BDBM50315350 (+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate::(+/-)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate::(-)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate::CHEMBL1091718

SMILES: CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=NYFHLMPBJJJPCI-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50315350   
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
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.092
BindingDB Entry DOI: 10.7270/Q2BZ665C
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.097
BindingDB Entry DOI: 10.7270/Q27P90FX
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.092
BindingDB Entry DOI: 10.7270/Q2BZ665C
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.092
BindingDB Entry DOI: 10.7270/Q2BZ665C
More data for this
Ligand-Target Pair