BDBM1218 (2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-2-[3-(2-hydroxyphenyl)propanamido]-3,3-dimethylbutanamido]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide::2-Aminobenzyl-Substituted AHPPA deriv. 36

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=YMNDBCNMYBNUHW-FIWFIFAZSA-N

Data: 1 KI  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 = 1218   

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)	BDBM1218 ((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C43H52N4O7/c1-43(2,3)40(46-36(50)23-20-29-14-9-11-17-34(29)48)42(53)45-33(24-27-12-6-5-7-13-27)39(51)38(44-26-28-18-21-31(54-4)22-19-28)41(52)47-37-32-16-10-8-15-30(32)25-35(37)49/h5-19,21-22,33,35,37-40,44,48-49,51H,20,23-26H2,1-4H3,(H,45,53)(H,46,50)(H,47,52)/t33-,35+,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair