BDBM281009 3-[(11S,14S,17S)-11-(3-Amino-propyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-23-phenyl-25-trifluoromethyl-2-thia-10,13,16,19-tetraaza-tricyclo[19.4.0.0*3,8*]pentacosa-1(25),3,5,7,21,23-hexaen-14-yl]-propionamide::US10030047, Example 161

SMILES: CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCC(N)=O)C1=O)C(F)(F)F)-c1ccccc1

InChI Key:

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 = 281009   

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
Adhesin Ata autotransporter (Acinetobacter baumannii (strain ATCC 17978 / CIP 5...)	BDBM281009 (3-[(11S,14S,17S)-11-(3-Amino-propyl)-17-(1H-indol-...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(cc(c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCC(N)=O)C1=O)C(F)(F)F)-c1ccccc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso...				US Patent US10030047 (2018) BindingDB Entry DOI: 10.7270/Q2XW4MTP
					More data for this Ligand-Target Pair