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BDBM46076 3-[2-(3,4-dihydroxyphenyl)ethyl]-8-fluoro-5H-pyrimid[5,4-b]indol-4-one::3-[2-(3,4-dihydroxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one::3-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one::MLS-0390860.0001::cid_932151

SMILES: Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O

InChI Key: InChIKey=UZAAPUCZLGXYBA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 46076   
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 placental-like


(Homo sapiens (Human))
BDBM46076
PNG
(3-[2-(3,4-dihydroxyphenyl)ethyl]-8-fluoro-5H-pyrim...)
Show SMILES Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O
Show InChI InChI=1S/C18H14FN3O3/c19-11-2-3-13-12(8-11)16-17(21-13)18(25)22(9-20-16)6-5-10-1-4-14(23)15(24)7-10/h1-4,7-9,21,23-24H,5-6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.04E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46076
PNG
(3-[2-(3,4-dihydroxyphenyl)ethyl]-8-fluoro-5H-pyrim...)
Show SMILES Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O
Show InChI InChI=1S/C18H14FN3O3/c19-11-2-3-13-12(8-11)16-17(21-13)18(25)22(9-20-16)6-5-10-1-4-14(23)15(24)7-10/h1-4,7-9,21,23-24H,5-6H2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 253n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair