BDBM95766 (2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide::(2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxamide::MLS000834563::SMR000442091::cid_6669591

SMILES: OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1ccc2OCOc2c1

InChI Key: InChIKey=CIKHYOUWOUAOND-BXKMTCNYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95766   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
methionyl-tRNA synthetase (Trypanosoma brucei brucei strain 927/4 GUTat10.1)	BDBM95766 ((2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benz...) Show SMILES OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)NCc1nc2ccccc2[nH]1)c1ccc2OCOc2c1 |c:9| Show InChI InChI=1S/C25H27N3O6/c29-9-3-4-10-31-24-13-17(16-7-8-20-21(11-16)33-15-32-20)12-22(34-24)25(30)26-14-23-27-18-5-1-2-6-19(18)28-23/h1-2,5-8,11-12,17,24,29H,3-4,9-10,13-15H2,(H,26,30)(H,27,28)/t17-,24+/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2XP73JZ
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