BDBM95799 (12aS)-2-(1-benzyl-4-piperidyl)-6-(3-nitrophenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]-carboline-1,4-quinone::MLS001215314::SMR000543070::cid_16401256

SMILES: [O-][N+](=O)c1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=STHHMEFBLYHIME-NPHAVVRNSA-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 = 95799   

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)	BDBM95799 ((12aS)-2-(1-benzyl-4-piperidyl)-6-(3-nitrophenyl)-...) Show SMILES [O-][N+](=O)c1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C32H31N5O4/c38-29-20-35(23-13-15-34(16-14-23)19-21-7-2-1-3-8-21)32(39)28-18-26-25-11-4-5-12-27(25)33-30(26)31(36(28)29)22-9-6-10-24(17-22)37(40)41/h1-12,17,23,28,31,33H,13-16,18-20H2/t28-,31?/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.82E+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
					More data for this Ligand-Target Pair