BDBM95798 (12aS)-2-(3-hydroxypropyl)-6-(3-nitrophenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone::MLS001164842::SMR000540128::cid_16399132

SMILES: OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2c2cccc(c2)[N+]([O-])=O)C1=O

InChI Key: InChIKey=KFHUICCRGOQGNG-YDNXMHBPSA-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 = 95798   

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)	BDBM95798 ((12aS)-2-(3-hydroxypropyl)-6-(3-nitrophenyl)-6,7,1...) Show SMILES OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2c2cccc(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C23H22N4O5/c28-10-4-9-25-13-20(29)26-19(23(25)30)12-17-16-7-1-2-8-18(16)24-21(17)22(26)14-5-3-6-15(11-14)27(31)32/h1-3,5-8,11,19,22,24,28H,4,9-10,12-13H2/t19-,22?/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	528	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
					More data for this Ligand-Target Pair