BDBM1209 2-Aminobenzyl-Substituted AHPPA deriv. 25::benzyl N-(1-{[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2-methylbutyl)carbamate

SMILES: CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=NFVMZTGQYWKGPM-CWLRSQRRSA-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 = 1209   

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)	BDBM1209 (2-Aminobenzyl-Substituted AHPPA deriv. 25 | benzyl...) Show SMILES CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C42H50N4O7/c1-4-27(2)36(46-42(51)53-26-30-15-9-6-10-16-30)40(49)44-34(23-28-13-7-5-8-14-28)39(48)38(43-25-29-19-21-32(52-3)22-20-29)41(50)45-37-33-18-12-11-17-31(33)24-35(37)47/h5-22,27,34-39,43,47-48H,4,23-26H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t27?,34-,35+,36?,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	-11.5	1.10E+3	n/a	n/a	n/a	n/a	6.25	37
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