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BDBM76289 MLS001249435::SMR000718656::[2-[(4-chlorophenyl)carbamoyl]-4,6-bis(iodanyl)phenyl] ethanoate::[2-[(4-chlorophenyl)carbamoyl]-4,6-diiodophenyl] acetate::acetic acid [2-[(4-chloroanilino)-oxomethyl]-4,6-diiodophenyl] ester::acetic acid [2-[(4-chlorophenyl)carbamoyl]-4,6-diiodo-phenyl] ester::cid_26695

SMILES: CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=ICKMASVVMCGZLR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 76289   
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
NLRP3 protein


(Homo sapiens (Human))
BDBM76289
PNG
(MLS001249435 | SMR000718656 | [2-[(4-chlorophenyl)...)
Show SMILES CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 813n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2RN369N
More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens (Human))
BDBM76289
PNG
(MLS001249435 | SMR000718656 | [2-[(4-chlorophenyl)...)
Show SMILES CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.61E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2WD3Z10
More data for this
Ligand-Target Pair