BDBM294 (2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(2-methylpropyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 5

SMILES: CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C

InChI Key: InChIKey=MKOFHUCSPZPDFD-UZSVIBPSSA-N

Data: 2 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 2 hits for monomerid = 294   

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)	BDBM294 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H52N4O6S/c1-21(2)18-34-14-15-35(25(19-34)29(37)33-31(5,6)7)20-26(36)24(17-23-11-9-8-10-12-23)32-30(38)41-27-13-16-42(39,40)28(27)22(3)4/h8-12,21-22,24-28,36H,13-20H2,1-7H3,(H,32,38)(H,33,37)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Tested in vitro for the ability to inhibit HIV-1 protease				Bioorg Med Chem Lett 5: 2707-12 (1995) BindingDB Entry DOI: 10.7270/Q22N50FH
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM294 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H52N4O6S/c1-21(2)18-34-14-15-35(25(19-34)29(37)33-31(5,6)7)20-26(36)24(17-23-11-9-8-10-12-23)32-30(38)41-27-13-16-42(39,40)28(27)22(3)4/h8-12,21-22,24-28,36H,13-20H2,1-7H3,(H,32,38)(H,33,37)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	27.1	n/a	n/a	n/a	n/a	5.2	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				Bioorg Med Chem Lett 5: 2707-12 (1995) BindingDB Entry DOI: 10.7270/Q22N50FH
					More data for this Ligand-Target Pair