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BDBM96907 MLS000332556::N'-[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-hydrazinecarbodithioic acid methyl ester::N-[[(Z)-3-indolylidenemethyl]amino]carbamodithioic acid methyl ester::N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioic acid methyl ester::SMR000221755::cid_6538175::methyl N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioate

SMILES: CSC(=S)NN=Cc1c[nH]c2ccccc12

InChI Key: InChIKey=MQILUGFUDMJLIX-NTUHNPAUSA-N

Data: 2 IC50  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 4 hits for monomerid = 96907   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96907
PNG
(MLS000332556 | N'-[1-(1H-Indol-3-yl)-meth-(E)-...)
Show SMILES CSC(=S)NN=Cc1c[nH]c2ccccc12 |w:5.4|
Show InChI InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15)/b13-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20G3HS3
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96907
PNG
(MLS000332556 | N'-[1-(1H-Indol-3-yl)-meth-(E)-...)
Show SMILES CSC(=S)NN=Cc1c[nH]c2ccccc12 |w:5.4|
Show InChI InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15)/b13-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QSB
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96907
PNG
(MLS000332556 | N'-[1-(1H-Indol-3-yl)-meth-(E)-...)
Show SMILES CSC(=S)NN=Cc1c[nH]c2ccccc12 |w:5.4|
Show InChI InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15)/b13-7+
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96907
PNG
(MLS000332556 | N'-[1-(1H-Indol-3-yl)-meth-(E)-...)
Show SMILES CSC(=S)NN=Cc1c[nH]c2ccccc12 |w:5.4|
Show InChI InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15)/b13-7+
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VQ3196
More data for this
Ligand-Target Pair