BDBM299 (2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-cyclobutylpiperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 10

SMILES: CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1

InChI Key: InChIKey=WHDODXPIRGKCQX-UZSVIBPSSA-N

Data: 3 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 3 hits for monomerid = 299   

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)	BDBM299 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1 |r| Show InChI InChI=1S/C31H50N4O6S/c1-21(2)28-27(14-17-42(28,39)40)41-30(38)32-24(18-22-10-7-6-8-11-22)26(36)20-35-16-15-34(23-12-9-13-23)19-25(35)29(37)33-31(3,4)5/h6-8,10-11,21,23-28,36H,9,12-20H2,1-5H3,(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 Patents Similars		n/a	n/a	22.5	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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM299 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1 |r| Show InChI InChI=1S/C31H50N4O6S/c1-21(2)28-27(14-17-42(28,39)40)41-30(38)32-24(18-22-10-7-6-8-11-22)26(36)20-35-16-15-34(23-12-9-13-23)19-25(35)29(37)33-31(3,4)5/h6-8,10-11,21,23-28,36H,9,12-20H2,1-5H3,(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 Patents Similars		n/a	n/a	17	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 at pH 7.4				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)	BDBM299 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1 |r| Show InChI InChI=1S/C31H50N4O6S/c1-21(2)28-27(14-17-42(28,39)40)41-30(38)32-24(18-22-10-7-6-8-11-22)26(36)20-35-16-15-34(23-12-9-13-23)19-25(35)29(37)33-31(3,4)5/h6-8,10-11,21,23-28,36H,9,12-20H2,1-5H3,(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 Patents Similars		n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
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