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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50041995   
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 15 member 1


(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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PC sid
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PubMed
9.10E+6n/an/an/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VACV uptake in PEPT1-expressing CHO cells


J Pharmacol Exp Ther 289: 448-54 (1999)


BindingDB Entry DOI: 10.7270/Q2QJ7JKJ
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50188516
PNG
(2-(2-amino-N-methylacetamido)acetic acid | CHEMBL1...)
Show SMILES CN(CC(O)=O)C(=O)CN
Show InChI InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.28E+7n/an/an/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VACV uptake in PEPT1-expressing CHO cells


J Pharmacol Exp Ther 289: 448-54 (1999)


BindingDB Entry DOI: 10.7270/Q2QJ7JKJ
More data for this
Ligand-Target Pair