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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50049277   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50237925
PNG
(CHEMBL4103223)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237961
PNG
(CHEMBL4060753)
Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237964
PNG
(CHEMBL4090465)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237931
PNG
(CHEMBL4095459)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CCCCCCCC
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 920n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237942
PNG
(CHEMBL4078955)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 44-53 nM


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237915
PNG
(CHEMBL4069435)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237939
PNG
(CHEMBL4077330)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237962
PNG
(CHEMBL4079164)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237920
PNG
(CHEMBL4087225)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237915
PNG
(CHEMBL4069435)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on functional cellular GR-antagonism (GRAF) in human Glucocorticoid receptor (GR) expressing cells


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237946
PNG
(CHEMBL4105082)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237965
PNG
(CHEMBL4068298)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237928
PNG
(CHEMBL4084312)
Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237916
PNG
(CHEMBL4094534)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.83E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237923
PNG
(CHEMBL4075025)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237963
PNG
(CHEMBL4098180)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(C)(=O)=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.99E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237922
PNG
(CHEMBL4103420)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.13E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237937
PNG
(CHEMBL1372043)
Show SMILES Cc1cc(=O)oc2c(OS(C)(=O)=O)c(OS(C)(=O)=O)ccc12
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237926
PNG
(CHEMBL4080152)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.26E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237918
PNG
(CHEMBL4093867)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237913
PNG
(CHEMBL4091160)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cccc(c3)[N+]([O-])=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.42E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237926
PNG
(CHEMBL4080152)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.47E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237941
PNG
(CHEMBL4073985)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(C)(=O)=O)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237945
PNG
(CHEMBL4070218)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.52E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237966
PNG
(CHEMBL4078377)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1[N+]([O-])=O
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.54E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237924
PNG
(CHEMBL4102277)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237967
PNG
(CHEMBL4073185)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)c1ccc(OC)cc1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.59E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237918
PNG
(CHEMBL4093867)
Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237964
PNG
(CHEMBL4090465)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.81E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237923
PNG
(CHEMBL4075025)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237966
PNG
(CHEMBL4078377)
Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1[N+]([O-])=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237924
PNG
(CHEMBL4102277)
Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.12E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237920
PNG
(CHEMBL4087225)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12
PDB
MMDB

KEGG

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PC sid
UniChem
Article
PubMed
n/an/a 3.21E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237928
PNG
(CHEMBL4084312)
Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
PDB
MMDB

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PubMed
n/an/a 3.22E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237927
PNG
(CHEMBL4086809)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
KEGG

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UniChem
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PubMed
n/an/a 3.53E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237941
PNG
(CHEMBL4073985)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(C)(=O)=O)ccc12
PDB
MMDB

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PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237925
PNG
(CHEMBL4103223)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
PDB
MMDB

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UniChem
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PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50237944
PNG
(CHEMBL4094013)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(Cl)cc3)c(OS(=O)(=O)c3ccc(Cl)cc3)ccc12
KEGG

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PubMed
n/an/a 3.69E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237947
PNG
(CHEMBL4083749)
Show SMILES Cc1ccc(cc1S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O
PDB
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PubMed
n/an/a 3.91E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237965
PNG
(CHEMBL4068298)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12
PDB
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UniChem
Article
PubMed
n/an/a 4.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237917
PNG
(CHEMBL4059741)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
PDB
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UniChem
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PubMed
n/an/a 4.06E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237921
PNG
(CHEMBL4065375)
Show SMILES CCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
PDB
MMDB

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UniChem
Article
PubMed
n/an/a 4.18E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 1273-2947 nM


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237939
PNG
(CHEMBL4077330)
Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12
PDB
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UniChem
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PubMed
n/an/a 4.57E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237929
PNG
(CHEMBL4082634)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
PDB
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PubMed
n/an/a 4.63E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237943
PNG
(CHEMBL4086241)
Show SMILES Cc1cc(=O)oc2c(c(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12)[N+]([O-])=O
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PubMed
n/an/a 4.65E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237913
PNG
(CHEMBL4091160)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cccc(c3)[N+]([O-])=O)ccc12
PDB
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Article
PubMed
n/an/a 5.16E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237962
PNG
(CHEMBL4079164)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12
PDB
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PubMed
n/an/a 5.49E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237960
PNG
(CHEMBL4103132)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12
PDB
MMDB

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UniChem
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PubMed
n/an/a 5.52E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237919
PNG
(CHEMBL4101742)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)c1ccc(CCC)cc1
PDB
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PubMed
n/an/a 5.95E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line


Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50237961
PNG
(CHEMBL4060753)
Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1
PDB
MMDB

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UniChem
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PubMed
n/an/a 6.29E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL




Eur J Med Chem 131: 29-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.003
More data for this
Ligand-Target Pair
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