BDBM1196 2-Aminobenzyl-Substituted AHPPA deriv. 11::tert-butyl N-[(2S,3R,4R)-4-({[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl](phenyl)methyl}carbamoyl)-3-hydroxy-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamate

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)cc1

InChI Key: InChIKey=LLVJVNVNDLXYES-CZXPWCAQSA-N

Data: 1 KI  1 IC50

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 = 1196   

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)	BDBM1196 (2-Aminobenzyl-Substituted AHPPA deriv. 11 | tert-b...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C40H46N6O6/c1-40(2,3)52-39(50)45-32(23-26-13-7-5-8-14-26)36(47)35(41-24-27-19-21-29(51-4)22-20-27)38(49)46-34(28-15-9-6-10-16-28)37(48)42-25-33-43-30-17-11-12-18-31(30)44-33/h5-22,32,34-36,41,47H,23-25H2,1-4H3,(H,42,48)(H,43,44)(H,45,50)(H,46,49)/t32-,34?,35+,36+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-11.3	380	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: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair