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SMILES: Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=WWICDNHPMVBSRN-UHFFFAOYSA-N

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 = 50114997   
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50114997
PNG
(4-(4-Chloro-3-methyl-phenyl)-3-(4-chloro-phenyl)-3...)
Show SMILES Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2S/c1-10-8-11(2-7-14(10)18)15-9-21-16(19)20(15)13-5-3-12(17)4-6-13/h2-9,19H,1H3
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PubMed
24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]WIN-35 428 binding to dopamine transporter (DAT) in rat striatal tissue


Bioorg Med Chem Lett 12: 1775-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Z038Q5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50114997
PNG
(4-(4-Chloro-3-methyl-phenyl)-3-(4-chloro-phenyl)-3...)
Show SMILES Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2S/c1-10-8-11(2-7-14(10)18)15-9-21-16(19)20(15)13-5-3-12(17)4-6-13/h2-9,19H,1H3
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CHEMBL
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PubMed
24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]WIN-35 428 binding to dopamine transporter (DAT) in rat striatal tissue


Bioorg Med Chem Lett 12: 1775-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Z038Q5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50114997
PNG
(4-(4-Chloro-3-methyl-phenyl)-3-(4-chloro-phenyl)-3...)
Show SMILES Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2S/c1-10-8-11(2-7-14(10)18)15-9-21-16(19)20(15)13-5-3-12(17)4-6-13/h2-9,19H,1H3
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PubMed
99n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of norepinephrine [3H]NE reuptake into rat cortical membranes


Bioorg Med Chem Lett 12: 1775-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Z038Q5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50114997
PNG
(4-(4-Chloro-3-methyl-phenyl)-3-(4-chloro-phenyl)-3...)
Show SMILES Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2S/c1-10-8-11(2-7-14(10)18)15-9-21-16(19)20(15)13-5-3-12(17)4-6-13/h2-9,19H,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
225n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of serotonin [3H]SER reuptake into rat forebrain membranes


Bioorg Med Chem Lett 12: 1775-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Z038Q5
More data for this
Ligand-Target Pair