BDBM4246 (3S)-oxan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate::AHPBA 15::[3(S)-(Tetrahydropyranyl)oxy]carbonyl-(2S,3S)-AHPBA-4(S)-Cl-Pro-NH-t-Bu

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1

InChI Key: InChIKey=UGBMMNWHCMMASC-SXYSDOLCSA-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 = 4246   

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 type 1)	BDBM4246 ((3S)-oxan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-butyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 |r| Show InChI InChI=1S/C25H36ClN3O6/c1-25(2,3)28-22(31)20-13-17(26)14-29(20)23(32)21(30)19(12-16-8-5-4-6-9-16)27-24(33)35-18-10-7-11-34-15-18/h4-6,8-9,17-21,30H,7,10-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co. Ltd.					Assay Description The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...				Bioorg Med Chem 6: 595-604 (1998) Article DOI: 10.1016/s0968-0896(98)00004-2 BindingDB Entry DOI: 10.7270/Q2QN64XQ
					More data for this Ligand-Target Pair