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SMILES: Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1

InChI Key: InChIKey=PBSDIJZJUUQESR-UHFFFAOYSA-N

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 = 39582   
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, germ cell type


(Homo sapiens (Human))
BDBM39582
PNG
((5-Benzo[1,3]dioxol-5-yl-1-methyl-1H-imidazol-2-yl...)
Show SMILES Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16ClN3O2/c1-22-15(13-4-7-16-17(8-13)24-11-23-16)10-21-18(22)20-9-12-2-5-14(19)6-3-12/h2-8,10H,9,11H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.99E+5n/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 (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM39582
PNG
((5-Benzo[1,3]dioxol-5-yl-1-methyl-1H-imidazol-2-yl...)
Show SMILES Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16ClN3O2/c1-22-15(13-4-7-16-17(8-13)24-11-23-16)10-21-18(22)20-9-12-2-5-14(19)6-3-12/h2-8,10H,9,11H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.99E+5n/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 (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair