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5 similar compounds to monomer 50236726

Compile data set for download or QSAR
Wt: 179.2
BDBM50236729
Wt: 231.2
BDBM50236725
Wt: 275.3
BDBM50236727
Wt: 179.2
BDBM50236728
Wt: 307.4
BDBM50236730

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50236729,50236725,50236727,50236728,50236730   
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
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50236730
PNG
(CHEMBL4072342)
Show SMILES C(CCN1CCCC(C1)c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C22H29N/c1-4-11-20(12-5-1)13-6-3-9-17-23-18-10-16-22(19-23)21-14-7-2-8-15-21/h1-2,4-5,7-8,11-12,14-15,22H,3,6,9-10,13,16-19H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50236729
PNG
(CHEMBL4065085)
Show SMILES CCCNCCc1ccccc1O
Show InChI InChI=1S/C11H17NO/c1-2-8-12-9-7-10-5-3-4-6-11(10)13/h3-6,12-13H,2,7-9H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor (unknown origin)


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50236728
PNG
(CHEMBL4086874)
Show SMILES CN[C@H](C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 134n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50236728
PNG
(CHEMBL4086874)
Show SMILES CN[C@H](C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at DAT in rat synaptosomes assessed as release of [3H]DA after 5 mins by liquid scintillation counting method


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50236727
PNG
(CHEMBL4088891)
Show SMILES CCC[C@H](N1CCCC1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3/t13-/m0/s1
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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of DAT in Sprague-Dawley rat synaptosomes assessed as reduction in [3H]dopamine uptake by liquid scintillation counting method


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50236725
PNG
(CHEMBL4061726)
Show SMILES CNC(C)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H12F3NO/c1-7(15-2)10(16)8-3-5-9(6-4-8)11(12,13)14/h3-7,15H,1-2H3
NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at DAT (unknown origin) assessed as release of [3H]DA


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50236725
PNG
(CHEMBL4061726)
Show SMILES CNC(C)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H12F3NO/c1-7(15-2)10(16)8-3-5-9(6-4-8)11(12,13)14/h3-7,15H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT (unknown origin) assessed as release of [3H]HT


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair