BDBM873 (3R)-oxolan-3-yl N-[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),19,22-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate::1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 34

SMILES: CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1

InChI Key: InChIKey=PWEJSYALDYQGFY-UFSCFTEJSA-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 = 873   

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)	BDBM873 ((3R)-oxolan-3-yl N-[(1S,2S)-1-[(13R,16R)-12,15-dio...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r| Show InChI InChI=1S/C34H48N4O9/c1-23(2)29-32(40)35-13-15-43-16-17-44-18-19-46-26-10-8-25(9-11-26)21-36-30(33(41)38-29)31(39)28(20-24-6-4-3-5-7-24)37-34(42)47-27-12-14-45-22-27/h3-11,23,27-31,36,39H,12-22H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t27?,28-,29?,30+,31?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13.8	-11.1	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
					More data for this Ligand-Target Pair