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BDBM95765 (2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-(4-methylolbenzyl)oxy-3,4-dihydro-2H-pyran-6-carboxamide::(2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide::MLS000834578::SMR000442102::cid_16197146

SMILES: OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2ccc(Br)cc2)cc1

InChI Key: InChIKey=HFBNRAUWTCHHMA-ZBLYBZFDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95765   
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
methionyl-tRNA synthetase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)		BDBM95765
PNG
((2S,4S)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-bromop...)
Show SMILES OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2ccc(Br)cc2)cc1 |c:11|
Show InChI InChI=1S/C28H26BrN3O4/c29-22-11-9-20(10-12-22)21-13-25(28(34)30-15-26-31-23-3-1-2-4-24(23)32-26)36-27(14-21)35-17-19-7-5-18(16-33)6-8-19/h1-13,21,27,33H,14-17H2,(H,30,34)(H,31,32)/t21-,27+/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 498n/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