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SMILES: [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C([O-])=O)=C(C[n+]3ccc(N)n3CCO)CS[C@]12[H]

InChI Key: InChIKey=BHXLLRXDAYEMPP-SBGRAJFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485614   
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
Solute carrier family 22 member 5


(Homo sapiens)		BDBM50485614
PNG
(Cefoselis)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C([O-])=O)=C(C[n+]3ccc(N)n3CCO)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+7n/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.02 uM) in OCTN2-expressing HeLa cells

J Biol Chem 275: 1699-707 (2000)


Article DOI: 10.1074/jbc.275.3.1699
BindingDB Entry DOI: 10.7270/Q2CF9SZ0
More data for this
Ligand-Target Pair