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BDBM95777 (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide::(2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzothiophen-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxamide::(2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide::MLS000834626::SMR000442089::cid_16745416

SMILES: OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1csc2ccccc12

InChI Key: InChIKey=SLRBOMATNPSAKZ-NSYGIPOTSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95777   
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
Methionine--tRNA ligase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)		BDBM95777
PNG
((2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzot...)
Show SMILES OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1csc2ccccc12 |c:9|
Show InChI InChI=1S/C26H27N3O4S/c30-11-5-6-12-32-25-14-17(19-16-34-23-10-4-1-7-18(19)23)13-22(33-25)26(31)27-15-24-28-20-8-2-3-9-21(20)29-24/h1-4,7-10,13,16-17,25,30H,5-6,11-12,14-15H2,(H,27,31)(H,28,29)/t17-,25+/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2XP73JZ
More data for this
Ligand-Target Pair