BDBM865 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 20::benzyl N-[(1S)-1-{[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-13-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]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2

InChI Key: InChIKey=QCOTVEZNURNOOS-OTXQKLNXSA-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 = 865   

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)	BDBM865 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 20 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r| Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-18-19-51-20-21-52-31-17-11-16-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-12-7-5-8-13-28)43-38(48)34(27(3)4)45-40(50)53-25-29-14-9-6-10-15-29/h5-17,22,26-27,32-36,42,46H,18-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	-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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