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BDBM50485561 CEFOTIAM::CHEBI:355510::Cefotiam::Ceradon::J01DC07

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

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50485561
PNG
(CEFOTIAM | CHEBI:355510 | Cefotiam | Ceradon | J01...)
Show SMILES CN(C)CCn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1csc(N)n1)C2=O)C(O)=O
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
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