BDBM50284987 CHEMBL293061::{(R)-2-Methyl-1-[(S)-1-((2R,3S)-3-{[(S)-3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)-butyrylamino]-methyl}-oxiranyl)-2-phenyl-ethylcarbamoyl]-propyl}-carbamic acid pyridin-3-ylmethyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C

InChI Key: InChIKey=KZMGXMLAQAOTMN-DYFQPDDQSA-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 = 50284987   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50284987 (CHEMBL293061 | {(R)-2-Methyl-1-[(S)-1-((2R,3S)-3-{...) Show SMILES CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C Show InChI InChI=1S/C35H44N6O7/c1-22(2)29(40-34(44)46-20-25-12-8-14-36-17-25)32(42)38-19-28-31(48-28)27(16-24-10-6-5-7-11-24)39-33(43)30(23(3)4)41-35(45)47-21-26-13-9-15-37-18-26/h5-15,17-18,22-23,27-31H,16,19-21H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)/t27-,28-,29-,30+,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition activity against HIV-1 protease				Bioorg Med Chem Lett 5: 1843-1848 (1995) Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J
					More data for this Ligand-Target Pair