BDBM86655 3-Hexanol derivative, 1

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1

InChI Key: InChIKey=GKQPPGPKNKWXQE-JLHXZSQLSA-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 = 86655   

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)	BDBM86655 (3-Hexanol derivative, 1) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C33H34N2O4/c1-23-28(18-11-19-30(23)36)33(39)35-29(21-25-14-7-3-8-15-25)31(37)22-27(20-24-12-5-2-6-13-24)34-32(38)26-16-9-4-10-17-26/h2-19,27,29,31,36-37H,20-22H2,1H3,(H,34,38)(H,35,39)/t27-,29-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	1	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