BDBM1211 2-Aminobenzyl-Substituted AHPPA deriv. 27::benzyl N-(2-carbamoyl-1-{[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}ethyl)carbamate

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=XRCDVSDCBICGBC-ZSKIHAECSA-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 = 1211   

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)	BDBM1211 (2-Aminobenzyl-Substituted AHPPA deriv. 27 | benzyl...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C40H45N5O8/c1-52-29-18-16-26(17-19-29)23-42-36(39(50)45-35-30-15-9-8-14-28(30)21-33(35)46)37(48)31(20-25-10-4-2-5-11-25)43-38(49)32(22-34(41)47)44-40(51)53-24-27-12-6-3-7-13-27/h2-19,31-33,35-37,42,46,48H,20-24H2,1H3,(H2,41,47)(H,43,49)(H,44,51)(H,45,50)/t31-,32?,33+,35-,36+,37+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-11.1	1.40E+3	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
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