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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 8' and Ligand = 'BDBM50350467'   
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 8


(Homo sapiens (Human))
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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Article
PubMed
8.62E+3n/an/an/an/an/an/an/an/a



Wilkes University

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 using estrone-3-sulfate as substrate


Drug Metab Dispos 41: 791-800 (2013)


Article DOI: 10.1124/dmd.112.049569
BindingDB Entry DOI: 10.7270/Q2TF003W
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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MCE
KEGG
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PubMed
8.62E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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Article
PubMed
n/an/a 1.78E+6n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-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
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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MCE
KEGG
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PC sid
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Article
PubMed
n/an/a 1.78E+6n/an/an/an/an/an/a



Wilkes University

Curated by ChEMBL


Assay Description
Inhibition of rat OAT3 using estrone-3-sulfate as substrate


Drug Metab Dispos 41: 791-800 (2013)


Article DOI: 10.1124/dmd.112.049569
BindingDB Entry DOI: 10.7270/Q2TF003W
More data for this
Ligand-Target Pair