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BDBM318 (2R,3R)-2-(propan-2-yl)thiolan-3-yl N-[(2S,3R)-4-[(3aR,7aS)-6-(tert-butylcarbamoyl)-octahydrothieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Thienopyridine thienyl urethane deriv. 13::hydroxyethylamine isostere::hydroxyethylene isostere

SMILES: [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C

InChI Key: InChIKey=QLFYYBGXVAYDRB-WUHYLDPHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 318   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM318
PNG
((2R,3R)-2-(propan-2-yl)thiolan-3-yl N-[(2S,3R)-4-[...)
Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H47N3O4S2/c1-19(2)27-25(12-14-39-27)37-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-38-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23?,24-,25-,26+,27-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 0.260n/an/an/an/an/an/a



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