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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50190608'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transporter


(Rattus norvegicus (rat))
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Bioorg Med Chem 22: 311-24 (2013)


Article DOI: 10.1016/j.bmc.2013.11.017
BindingDB Entry DOI: 10.7270/Q2FB54D1
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair