BDBM1217 (2R,3R,4S)-4-[(2S)-2-(1,2-dihydroisoquinolin-2-ylcarbonylamino)-3,3-dimethylbutanamido]-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide::2-Aminobenzyl-Substituted AHPPA deriv. 35

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N2Cc3ccccc3C=C2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=IAJIKFUKLLAHNO-QAQBJLFZSA-N

Data: 1 KI

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 = 1217   

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)	BDBM1217 ((2R,3R,4S)-4-[(2S)-2-(1,2-dihydroisoquinolin-2-ylc...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N2Cc3ccccc3C=C2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r,c:36| Show InChI InChI=1S/C44H51N5O6/c1-44(2,3)40(48-43(54)49-23-22-30-14-8-9-16-32(30)27-49)42(53)46-35(24-28-12-6-5-7-13-28)39(51)38(45-26-29-18-20-33(55-4)21-19-29)41(52)47-37-34-17-11-10-15-31(34)25-36(37)50/h5-23,35-40,45,50-51H,24-27H2,1-4H3,(H,46,53)(H,47,52)(H,48,54)/t35-,36+,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	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
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