BDBM951 5PhBuCOOH deriv.::Statine deriv. 31::Tle-Val-Sta::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S,2R)-1-(benzylcarbamoyl)-2-methylbutyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CCC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=NVAOIJNKJIRTEW-VZCUVCCGSA-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 = 951   

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)	BDBM951 (5PhBuCOOH deriv. | Statine deriv. 31 | Tle-Val-Sta...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H55N5O6/c1-5-31(4)38(41(51)46-28-34-22-14-8-15-23-34)48-43(53)39(45-27-33-20-12-7-13-21-33)40(50)36(26-32-18-10-6-11-19-32)47-42(52)37(30(2)3)49-44(54)55-29-35-24-16-9-17-25-35/h6-25,30-31,36-40,45,50H,5,26-29H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t31?,36-,37-,38-,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	>-7.83	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					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 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
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