BDBM313 (2S,3S)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R)-4-[(3aR,7aS)-6-(tert-butylcarbamoyl)-octahydrothieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate::Thienopyridine thienyl urethane deriv. 8::hydroxyethylamine isostere::hydroxyethylene isostere

SMILES: [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C

InChI Key: InChIKey=SSAWLODCPROYGG-STKMKRHHSA-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 = 313   

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)	BDBM313 ((2S,3S)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.400	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair