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2 similar compounds to monomer 50060998

Compile data set for download or QSAR
Wt: 168.1
BDBM50391818
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Wt: 152.1
BDBM50405321
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50391818,50405321   
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
Thiopurine S-methyltransferase


(Homo sapiens)
BDBM50405321
PNG
(CHEMBL22425)
Show SMILES COc1cccc(c1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney thiopurine methyltransferase (TPMT)


J Med Chem 29: 354-8 (1986)


Article DOI: 10.1021/jm00153a009
BindingDB Entry DOI: 10.7270/Q2445NPZ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens)
BDBM50391818
PNG
(CHEMBL2146904)
Show SMILES COc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C8H8O4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,9H,1H3,(H,10,11)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)


Article DOI: 10.1021/ml3000676
BindingDB Entry DOI: 10.7270/Q27945RB
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (human))
BDBM50391818
PNG
(CHEMBL2146904)
Show SMILES COc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C8H8O4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,9H,1H3,(H,10,11)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)


Article DOI: 10.1021/ml3000676
BindingDB Entry DOI: 10.7270/Q27945RB
More data for this
Ligand-Target Pair