BindingDB logo
myBDB logout

null

SMILES: OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2csc3ccccc23)cc1

InChI Key: InChIKey=UBLIZOJZBMXEFU-KCWXNJEJSA-N

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 = 95778   
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)		BDBM95778
PNG
((2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-(1-benzot...)
Show SMILES OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2csc3ccccc23)cc1 |c:11|
Show InChI InChI=1S/C30H27N3O4S/c34-16-19-9-11-20(12-10-19)17-36-29-14-21(23-18-38-27-8-4-1-5-22(23)27)13-26(37-29)30(35)31-15-28-32-24-6-2-3-7-25(24)33-28/h1-13,18,21,29,34H,14-17H2,(H,31,35)(H,32,33)/t21-,29+/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.58E+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