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BDBM50447423 CHEMBL3115140

SMILES: COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1

InChI Key: InChIKey=LFNCQXCGGLILPQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50447423   
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
Intestinal alkaline phosphatase


(Mus musculus)
BDBM50447423
PNG
(CHEMBL3115140)
Show SMILES COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-28-15-6-4-14(5-7-15)10-12-21-19(24)3-2-11-22-30(26,27)16-8-9-17-18(13-16)29-20(25)23-17/h4-9,13,22H,2-3,10-12H2,1H3,(H,21,24)(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental type


(Homo sapiens)
BDBM50447423
PNG
(CHEMBL3115140)
Show SMILES COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-28-15-6-4-14(5-7-15)10-12-21-19(24)3-2-11-22-30(26,27)16-8-9-17-18(13-16)29-20(25)23-17/h4-9,13,22H,2-3,10-12H2,1H3,(H,21,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50447423
PNG
(CHEMBL3115140)
Show SMILES COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-28-15-6-4-14(5-7-15)10-12-21-19(24)3-2-11-22-30(26,27)16-8-9-17-18(13-16)29-20(25)23-17/h4-9,13,22H,2-3,10-12H2,1H3,(H,21,24)(H,23,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay


Bioorg Med Chem Lett 24: 1000-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.043
BindingDB Entry DOI: 10.7270/Q2ST7RB8
More data for this
Ligand-Target Pair