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BDBM159334 US9034899, 17::US9604960, 17

SMILES: Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O

InChI Key: InChIKey=PILUFBWYZBSMTQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 159334   
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 serotonin transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/a7.54



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9034899 (2015)


BindingDB Entry DOI: 10.7270/Q20000VT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 84.7n/an/an/an/a7.94



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9034899 (2015)


BindingDB Entry DOI: 10.7270/Q20000VT
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 421n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)


BindingDB Entry DOI: 10.7270/Q2QC05KM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)


BindingDB Entry DOI: 10.7270/Q2QC05KM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)


BindingDB Entry DOI: 10.7270/Q2QC05KM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 421n/an/an/an/a7.54



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9034899 (2015)


BindingDB Entry DOI: 10.7270/Q20000VT
More data for this
Ligand-Target Pair