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BDBM50037773 CHEMBL3358195

SMILES: CNCc1cc2ccccc2s1

InChI Key: InChIKey=FKHVKIIMXLUFHI-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50037773   
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
Adrenergic receptor


(Homo sapiens (Human))
BDBM50037773
PNG
(CHEMBL3358195)
Show SMILES CNCc1cc2ccccc2s1
Show InChI InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
4.32E+4n/an/an/an/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...


J Med Chem 61: 1118-1129 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50037773
PNG
(CHEMBL3358195)
Show SMILES CNCc1cc2ccccc2s1
Show InChI InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
3.73E+5n/an/an/an/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...


J Med Chem 61: 1118-1129 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50037773
PNG
(CHEMBL3358195)
Show SMILES CNCc1cc2ccccc2s1
Show InChI InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay


Bioorg Med Chem 22: 6655-64 (2015)


Article DOI: 10.1016/j.bmc.2014.10.001
BindingDB Entry DOI: 10.7270/Q2V40WT8
More data for this
Ligand-Target Pair