BDBM86656 3-Hexanol derivative, 2

SMILES: Cc1ccccc1C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C)Cc1ccccc1

InChI Key: InChIKey=RZBJPEPHHPCWHT-MHDHXZMLSA-N

Data: 1 KI  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 = 86656   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM86656 (3-Hexanol derivative, 2) Show SMILES Cc1ccccc1C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C34H36N2O3/c1-24-13-9-11-19-29(24)33(38)35-28(21-26-15-5-3-6-16-26)23-32(37)31(22-27-17-7-4-8-18-27)36-34(39)30-20-12-10-14-25(30)2/h3-20,28,31-32,37H,21-23H2,1-2H3,(H,35,38)(H,36,39)/t28-,31-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Lódz					Assay Description The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.				Chem Biol Drug Des 79: 798-809 (2012) Article DOI: 10.1111/j.1747-0285.2012.01328.x BindingDB Entry DOI: 10.7270/Q25T3J23
					More data for this Ligand-Target Pair