BDBM8089 (2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-[(2,3-dimethoxyphenyl)formamido]-3-methylbutanamide::hydroxylethylamine scaffold 58::hydroxylethylamine scaffold 5{8}

SMILES: COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1OC

InChI Key: InChIKey=DOFWARZRCWUXKJ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 8089   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasmepsin I (malaria parasite P. falciparum)	BDBM8089 (hydroxylethylamine scaffold 5{8} | (2S)-N-[(2S,3S)...) Show SMILES Show InChI	GoogleScholar	UniChem		180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Plasmepsin II (Plasmodium falciparum)	BDBM8089 (hydroxylethylamine scaffold 5{8} | (2S)-N-[(2S,3S)...) Show SMILES Show InChI	GoogleScholar	UniChem		810	-8.22	n/a	n/a	n/a	n/a	n/a	4.5	22
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Cathepsin D (Human)	BDBM8089 (hydroxylethylamine scaffold 5{8} | (2S)-N-[(2S,3S)...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair