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BDBM50262729 Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic acid isopropyl ester::CHEMBL477783

SMILES: CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1

InChI Key: InChIKey=NLRQPOSSIBJNGG-IBGZPJMESA-N

Data: 3 KI

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 3 hits for monomerid = 50262729   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262729
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262729
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
787n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50262729
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.01E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair