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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 6' and Ligand = 'BDBM50139896'   
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
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50139896
PNG
((6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-met...)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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MCE
KEGG
PC cid
PC sid
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Similars

PubMed
2.31E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes


J Pharmacol Exp Ther 290: 672-7 (1999)


BindingDB Entry DOI: 10.7270/Q2H41SJQ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50139896
PNG
((6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-met...)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Life Sci 70: 1861-74 (2002)


Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2
More data for this
Ligand-Target Pair