BDBM934 5PhBuCOOH deriv.::Statine deriv. 14::Tle-Val-Sta::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-4-{[2-(1H-indol-3-yl)ethyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=KWDFBFZCEVNAHE-WVBQXTTCSA-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 = 934   

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)	BDBM934 (5PhBuCOOH deriv. | Statine deriv. 14 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C46H56N6O6/c1-30(2)39(43(54)49-27-33-18-10-6-11-19-33)51-45(56)41(47-25-24-35-28-48-37-23-15-14-22-36(35)37)42(53)38(26-32-16-8-5-9-17-32)50-44(55)40(31(3)4)52-46(57)58-29-34-20-12-7-13-21-34/h5-23,28,30-31,38-42,47-48,53H,24-27,29H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t38-,39-,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	61	-10.2	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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