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BDBM95539 3-(2,3-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [(Z)-[amino-(5-nitro-2-furanyl)methylidene]amino] ester::3-(2,3-dichlorophenyl)-5-methyl-isoxazole-4-carboxylic acid [(Z)-[amino-(5-nitro-2-furyl)methylene]amino] ester::MLS000861280::O2-{[3-(2,3-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}-5-nitrofuran-2-carbohydroximamide::SMR000460064::[(Z)-[amino-(5-nitrofuran-2-yl)methylidene]amino] 3-(2,3-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate::[(Z)-[azanyl-(5-nitrofuran-2-yl)methylidene]amino] 3-[2,3-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxylate::cid_9566279

SMILES: Cc1onc(c1C(=O)O[N-]C(=[NH2+])c1ccc(o1)[N+]([O-])=O)-c1cccc(Cl)c1Cl

InChI Key: InChIKey=VISPHLOGZLBUFX-UHFFFAOYSA-O

Data: 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 1 hit for monomerid = 95539   
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))
BDBM95539
PNG
(3-(2,3-dichlorophenyl)-5-methyl-4-isoxazolecarboxy...)
Show SMILES Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H9Cl2N4O6/c1-7-12(14(20-27-7)8-3-2-4-9(17)13(8)18)16(23)28-21-15(19)10-5-6-11(26-10)22(24)25/h2-6H,1H3,(H-,19,21)/q-1/p+1
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 198n/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