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BDBM44056 1-(4-methoxyphenyl)-4-(3-methylanilino)-1,3-diazaspiro[4.5]dec-3-ene-2-thione::1-(4-methoxyphenyl)-4-(m-toluidino)-1,3-diazaspiro[4.5]dec-3-ene-2-thione::1-(4-methoxyphenyl)-4-[(3-methylphenyl)amino]-1,3-diazaspiro[4.5]dec-3-ene-2-thione::1-(4-methoxyphenyl)-4-[(3-methylphenyl)imino]-1,3-diazaspiro[4.5]decane-2-thione::MLS000700207::SMR000225741::cid_1041226

SMILES: COc1ccc(cc1)N1C(=S)N=C(Nc2cccc(C)c2)C11CCCCC1

InChI Key: InChIKey=NXORDGBQAZLGNU-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 44056   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44056
PNG
(1-(4-methoxyphenyl)-4-(3-methylanilino)-1,3-diazas...)
Show SMILES COc1ccc(cc1)N1C(=S)N=C(Nc2cccc(C)c2)C11CCCCC1
Show InChI InChI=1S/C22H25N3OS/c1-16-7-6-8-17(15-16)23-20-22(13-4-3-5-14-22)25(21(27)24-20)18-9-11-19(26-2)12-10-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,24,27)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.41E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44056
PNG
(1-(4-methoxyphenyl)-4-(3-methylanilino)-1,3-diazas...)
Show SMILES COc1ccc(cc1)N1C(=S)N=C(Nc2cccc(C)c2)C11CCCCC1
Show InChI InChI=1S/C22H25N3OS/c1-16-7-6-8-17(15-16)23-20-22(13-4-3-5-14-22)25(21(27)24-20)18-9-11-19(26-2)12-10-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.71E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair