BDBM1230 (Hydroxyethyl)amidosuccinoyl deriv. 2::benzyl N-[(1S)-1-{[(2S,3R)-4-{[2-(tert-butylcarbamoyl)cyclohexyl]formamido}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C

InChI Key: InChIKey=UBEGCQHZVJEZFE-GYHIUYGSSA-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 = 1230   

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)	BDBM1230 ((Hydroxyethyl)amidosuccinoyl deriv. 2 | benzyl N-[...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H50N4O6/c1-23(2)30(38-34(44)45-22-25-16-10-7-11-17-25)33(43)37-28(20-24-14-8-6-9-15-24)29(40)21-36-31(41)26-18-12-13-19-27(26)32(42)39-35(3,4)5/h6-11,14-17,23,26-30,40H,12-13,18-22H2,1-5H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26?,27?,28-,29+,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
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