BDBM870 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32::benzyl N-[(1S)-1-{[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES: CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C

InChI Key: InChIKey=TZULDDUNYAGRDC-KJDUMKRQSA-N

Data: 2 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 2 hits for monomerid = 870   

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)	BDBM870 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33?,34+,35?,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-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
					More data for this Ligand-Target Pair
HIV-2 Protease (Human immunodeficiency virus type 2)	BDBM870 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33?,34+,35?,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-11.1	n/a	n/a	n/a	n/a	n/a	4.7	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