BDBM280996 (12S,15S,18S)? 15,18-Bis-(3-amino-propyl)-4,6-dichloro-12-(1H-indol-3-ylmethyl)-13-methyl-2-thia-10,13,16,19-tetraaza-tricyclo[19.4.0.0*3,8*]pentacosa-1(25),3,5,7,21,23-hexaene-11,14,17-trione::US10030047, Example 133

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

InChI Key: InChIKey=HVWYZNOASBJWNI-CHQNGUEUSA-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 = 280996   

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...)	BDBM280996 ((12S,15S,18S)? 15,18-Bis-(3-amino-propyl)-4,6-dich...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Sc2ccccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCN)C1=O |r| Show InChI InChI=1S/C36H43Cl2N7O3S/c1-45-31(17-23-20-41-28-10-4-3-9-26(23)28)35(47)43-21-24-16-25(37)18-27(38)33(24)49-32-13-5-2-8-22(32)19-42-29(11-6-14-39)34(46)44-30(36(45)48)12-7-15-40/h2-5,8-10,13,16,18,20,29-31,41-42H,6-7,11-12,14-15,17,19,21,39-40H2,1H3,(H,43,47)(H,44,46)/t29-,30-,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	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
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