BDBM1032 Hydroxyethylene dipeptide isostere 24::N-[2(R)-Hydroxy-1( S)-indanyl]-5(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4( S)-hydroxy-6-phenyl-2(R)-(3-(4-hydroxyphenyl)prop-2-en-l-yl)hexanamide::tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-[(2E)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-1-phenylpentan-2-yl]carbamate

SMILES: [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(O)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12

InChI Key: InChIKey=CEJZVKZLVAQAHB-XGZUOCAGSA-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 = 1032   

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)	BDBM1032 (Hydroxyethylene dipeptide isostere 24 | N-[2(R)-Hy...) Show SMILES [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(O)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H42N2O6/c1-35(2,3)43-34(42)36-29(20-24-10-5-4-6-11-24)30(39)22-26(14-9-12-23-16-18-27(38)19-17-23)33(41)37-32-28-15-8-7-13-25(28)21-31(32)40/h4-13,15-19,26,29-32,38-40H,14,20-22H2,1-3H3,(H,36,42)(H,37,41)/b12-9+/t26-,29+,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				J Med Chem 35: 1702-9 (1992) Article DOI: 10.1021/jm00088a004 BindingDB Entry DOI: 10.7270/Q2N877ZC
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