BDBM50284922 1N-[1-benzyl-2,3-dihydroxy-4-(3-hydroxy-2-methylphenylcarboxamido)-5-phenyl-(1S,2R,3S,4S)-pentyl]-3-hydroxy-2-methylbenzamide::CHEMBL299869

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C

InChI Key: InChIKey=POHNQANVSQQXSL-IQXRZRKZSA-N

Data: 1 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 1 hit for monomerid = 50284922   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50284922 (1N-[1-benzyl-2,3-dihydroxy-4-(3-hydroxy-2-methylph...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C Show InChI InChI=1S/C34H36N2O6/c1-21-25(15-9-17-29(21)37)33(41)35-27(19-23-11-5-3-6-12-23)31(39)32(40)28(20-24-13-7-4-8-14-24)36-34(42)26-16-10-18-30(38)22(26)2/h3-18,27-28,31-32,37-40H,19-20H2,1-2H3,(H,35,41)(H,36,42)/t27-,28-,31-,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV protease				Bioorg Med Chem Lett 5: 1707-1712 (1995) Article DOI: 10.1016/0960-894X(95)00289-6 BindingDB Entry DOI: 10.7270/Q2WD40H2
					More data for this Ligand-Target Pair