BDBM859 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 24::benzyl N-[(1S)-1-{[(1S,2S)-1-[(16R,19R)-15,18-dioxo-16-(propan-2-yl)-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2

InChI Key: InChIKey=LRKUSTGJXNLIKZ-VHJUTDPPSA-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 = 859   

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)	BDBM859 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 24 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r| Show InChI InChI=1S/C44H61N5O10/c1-30(2)37-41(51)45-19-20-55-21-22-56-23-24-57-25-26-58-35-17-15-33(16-18-35)28-46-39(43(53)48-37)40(50)36(27-32-11-7-5-8-12-32)47-42(52)38(31(3)4)49-44(54)59-29-34-13-9-6-10-14-34/h5-18,30-31,36-40,46,50H,19-29H2,1-4H3,(H,45,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37?,38-,39+,40?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	-11.5	n/a	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: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
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