BDBM1216 (2R,3R,4S)-4-[(2S)-2-{[(2,3-dimethoxyphenyl)carbamoyl]amino}-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. 33

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=CRSBLGVQVRTNCO-TYTTVVLSSA-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 = 1216   

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)	BDBM1216 ((2R,3R,4S)-4-[(2S)-2-{[(2,3-dimethoxyphenyl)carbam...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C43H53N5O8/c1-43(2,3)39(48-42(53)46-31-17-12-18-34(55-5)38(31)56-6)41(52)45-32(23-26-13-8-7-9-14-26)37(50)36(44-25-27-19-21-29(54-4)22-20-27)40(51)47-35-30-16-11-10-15-28(30)24-33(35)49/h7-22,32-33,35-37,39,44,49-50H,23-25H2,1-6H3,(H,45,52)(H,47,51)(H2,46,48,53)/t32-,33+,35-,36+,37+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	532	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