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SMILES: [H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)Cc1csc(N)n1)C(O)=O

InChI Key: InChIKey=QYQDKDWGWDOFFU-IUODEOHRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485561   
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 6


(Rattus norvegicus)		BDBM50485561
PNG
(CHEBI:355510 | Cefotiam | Ceradon | J01DC07)
Show SMILES [H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)Cc1csc(N)n1)C(O)=O |c:17|
Show InChI InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.18E+5n/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


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

Drug Metab Pharmacokinet 17: 125-9 (2002)


Article DOI: 10.2133/dmpk.17.125
BindingDB Entry DOI: 10.7270/Q2VT1VZX
More data for this
Ligand-Target Pair