BDBM50071619 (S)-N*1*-((S)-1-{(2R,3S)-3-[((R)-1-Methoxycarbamoyl-2-methyl-propylcarbamoyl)-methyl]-oxiranyl}-2-phenyl-ethyl)-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL78312

SMILES: CONC(=O)[C@H](NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C

InChI Key: InChIKey=AQMAERLRGBNCSB-PGPFONJOSA-N

Data: 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 = 50071619   

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)	BDBM50071619 ((S)-N*1*-((S)-1-{(2R,3S)-3-[((R)-1-Methoxycarbamoy...) Show SMILES CONC(=O)[C@H](NC(=O)C[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C Show InChI InChI=1S/C32H38N6O7/c1-18(2)28(32(43)38-44-3)37-27(40)17-25-29(45-25)23(15-19-9-5-4-6-10-19)35-31(42)24(16-26(33)39)36-30(41)22-14-13-20-11-7-8-12-21(20)34-22/h4-14,18,23-25,28-29H,15-17H2,1-3H3,(H2,33,39)(H,35,42)(H,36,41)(H,37,40)(H,38,43)/t23-,24-,25-,28+,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for 50% irreversible inhibition of HIV-1 protease; value ranges from 10-50				Bioorg Med Chem Lett 8: 2423-6 (1999) BindingDB Entry DOI: 10.7270/Q21V5D46
					More data for this Ligand-Target Pair