BDBM860 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 25::tert-butyl N-[(1S,2S)-1-[(9R,12R)-8,11-dioxo-9-(propan-2-yl)-2-oxa-7,10,13-triazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-12-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate

SMILES: CC(C)C1NC(=O)[C@H](NCc2ccc(OCCCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=AOOUKNIZXIPRPV-JCYSWHRNSA-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 = 860   

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)	BDBM860 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 25 |...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C32H46N4O6/c1-21(2)26-29(38)33-17-9-10-18-41-24-15-13-23(14-16-24)20-34-27(30(39)36-26)28(37)25(19-22-11-7-6-8-12-22)35-31(40)42-32(3,4)5/h6-8,11-16,21,25-28,34,37H,9-10,17-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-11.0	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