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BDBM80007 3-bromanyl-N-[(2-methyl-2,3-dihydroindol-1-yl)carbothioyl]benzamide::3-bromo-N-(2-methyl-2,3-dihydroindole-1-carbothioyl)benzamide::3-bromo-N-(2-methylindoline-1-carbothioyl)benzamide::3-bromo-N-[(2-methyl-2,3-dihydroindol-1-yl)-sulfanylidenemethyl]benzamide::MLS000392412::SMR000261309::cid_3682487

SMILES: CC1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1

InChI Key: InChIKey=WWEGGMVJPPJCGT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 80007   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80007
PNG
(3-bromanyl-N-[(2-methyl-2,3-dihydroindol-1-yl)carb...)
Show SMILES CC1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C17H15BrN2OS/c1-11-9-12-5-2-3-8-15(12)20(11)17(22)19-16(21)13-6-4-7-14(18)10-13/h2-8,10-11H,9H2,1H3,(H,19,21,22)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 3.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM80007
PNG
(3-bromanyl-N-[(2-methyl-2,3-dihydroindol-1-yl)carb...)
Show SMILES CC1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C17H15BrN2OS/c1-11-9-12-5-2-3-8-15(12)20(11)17(22)19-16(21)13-6-4-7-14(18)10-13/h2-8,10-11H,9H2,1H3,(H,19,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair