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BDBM75773 N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoro-N-prop-2-ynylacetamide::N-[3-(N-(2-chloroacetyl)-4-nitro-anilino)propyl]-2,2,2-trifluoro-N-propargyl-acetamide::N-[3-(N-(2-chloroacetyl)-4-nitroanilino)propyl]-2,2,2-trifluoro-N-prop-2-ynylacetamide::N-[3-[2-chloranylethanoyl-(4-nitrophenyl)amino]propyl]-2,2,2-tris(fluoranyl)-N-prop-2-ynyl-ethanamide::SR-02000000385::SR-02000000385-1::cid_46245319

SMILES: [O-][N+](=O)c1ccc(cc1)N(CCCN(CC#C)C(=O)C(F)(F)F)C(=O)CCl

InChI Key: InChIKey=FHGSPFJRIYSJAA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 75773   
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
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM75773
PNG
(N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propy...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(CCCN(CC#C)C(=O)C(F)(F)F)C(=O)CCl
Show InChI InChI=1S/C16H15ClF3N3O4/c1-2-8-21(15(25)16(18,19)20)9-3-10-22(14(24)11-17)12-4-6-13(7-5-12)23(26)27/h1,4-7H,3,8-11H2
PDB
MMDB

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Similars

Article
PCBioAssay
n/an/a 23n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2N29VDB
More data for this
Ligand-Target Pair