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1 similar compounds to monomer 50009126

Compile data set for download or QSAR
Wt: 161.1
BDBM50004955
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50004955   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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PubMed
230n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells


J Med Chem 38: 13-5 (1995)


Article DOI: 10.1021/jm00001a004
BindingDB Entry DOI: 10.7270/Q2D50P5K
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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>1.00E+6n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay


J Med Chem 58: 3794-805 (2015)


Article DOI: 10.1021/jm501984f
BindingDB Entry DOI: 10.7270/Q24X59HH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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>1.00E+6n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.20E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.40E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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4.50E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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5.70E+6n/an/an/an/an/an/an/an/a



California Institute of Technology



Assay Description
Kinetic assay using chymotrypsin.


Biochemistry 4: 99-104 (1965)


Article DOI: 10.1021/bi00877a017
BindingDB Entry DOI: 10.7270/Q23N2214
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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n/an/a 745n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair