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BDBM95632 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide::MLS002163358::N-(4-bromo-2-methyl-phenyl)-2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide::N-(4-bromo-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide::SMR001245748::cid_4789729

SMILES: Cc1cc(Br)ccc1NC(=O)CN1C(=O)C2CC=CCC2C1=O

InChI Key: InChIKey=FZBAMBKNOAPLID-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95632   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95632
PNG
(2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoi...)
Show SMILES Cc1cc(Br)ccc1NC(=O)CN1C(=O)C2CC=CCC2C1=O
Show InChI InChI=1S/C17H17BrN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-3,6-8,12-13H,4-5,9H2,1H3,(H,19,21)
PDB
MMDB

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PC cid
PC sid
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n/an/a 169n/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/Q22F7M18
More data for this
Ligand-Target Pair