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BDBM46430 1-[5,6-bis(chloranyl)-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyethyl)urea::1-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyethyl)urea::MLS-0315717.0001::cid_2160836

SMILES: COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F

InChI Key: InChIKey=RDYHINJVSIBMHP-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 46430   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46430
PNG
(1-[5,6-bis(chloranyl)-2-(trifluoromethyl)-1,3-benz...)
Show SMILES COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F
Show InChI InChI=1S/C12H11Cl2F3N2O4/c1-21-3-2-18-10(20)19-12(11(15,16)17)22-8-4-6(13)7(14)5-9(8)23-12/h4-5H,2-3H2,1H3,(H2,18,19,20)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.76E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM46430
PNG
(1-[5,6-bis(chloranyl)-2-(trifluoromethyl)-1,3-benz...)
Show SMILES COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F
Show InChI InChI=1S/C12H11Cl2F3N2O4/c1-21-3-2-18-10(20)19-12(11(15,16)17)22-8-4-6(13)7(14)5-9(8)23-12/h4-5H,2-3H2,1H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair