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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 216.2
BDBM92690
Wt: 246.2
BDBM50043821
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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
Monocarboxylate transporter 10


(Rattus norvegicus)
BDBM50043821
PNG
((S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
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PC sid
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Article
PubMed
1.50E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes


J Biol Chem 276: 17221-8 (2001)


Article DOI: 10.1074/jbc.M009462200
BindingDB Entry DOI: 10.7270/Q26D5V8F
More data for this
Ligand-Target Pair
Monocarboxylate transporter 10


(Rattus norvegicus)
BDBM92690
PNG
(L-Abrine, 12)
Show SMILES [O-]C(=O)C(Cc1c[nH]c2ccccc12)[NH+]=C
Show InChI InChI=1S/C12H12N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,1,6H2,(H,15,16)
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PC sid
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Article
PubMed
3.10E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes


J Biol Chem 276: 17221-8 (2001)


Article DOI: 10.1074/jbc.M009462200
BindingDB Entry DOI: 10.7270/Q26D5V8F
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50043821
PNG
((S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
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Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


Article DOI: 10.1021/jm00027a027
BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Trp Aprorepressor


(Escherichia coli (strain K12))
BDBM92690
PNG
(L-Abrine, 12)
Show SMILES [O-]C(=O)C(Cc1c[nH]c2ccccc12)[NH+]=C
Show InChI InChI=1S/C12H12N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,1,6H2,(H,15,16)
PDB
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KEGG

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n/an/an/a 3.11E+4n/an/an/an/an/a



University of Chicago



Assay Description
Binding assay of L-trptophan and analogues to trp aporepressor


J Biol Chem 262: 4922-7 (1987)


BindingDB Entry DOI: 10.7270/Q25T3J3J
More data for this
Ligand-Target Pair