BDBM911 (2S)-N-[(2S,3S)-5-{[1H-1,3-benzodiazol-2-yl(phenyl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::4-Hydroxy-5-( (N-2-quinaloyl-L-asparagyl)amino)-6-phenylhexanoic Acid (a-(2-benzyimidazolyl)benzyl)amide::C-terminal inhibitor 9

SMILES: NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1

InChI Key: InChIKey=BYLAAYVZJDMPHP-DPHIMCBTSA-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 = 911   

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)	BDBM911 ((2S)-N-[(2S,3S)-5-{[1H-1,3-benzodiazol-2-yl(phenyl...) Show SMILES NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C40H39N7O5/c41-35(49)24-33(46-39(51)31-20-19-26-13-7-8-16-28(26)42-31)40(52)45-32(23-25-11-3-1-4-12-25)34(48)21-22-36(50)47-37(27-14-5-2-6-15-27)38-43-29-17-9-10-18-30(29)44-38/h1-20,32-34,37,48H,21-24H2,(H2,41,49)(H,43,44)(H,45,52)(H,46,51)(H,47,50)/t32-,33-,34-,37?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	480	-8.96	n/a	n/a	n/a	n/a	n/a	5.5	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				J Med Chem 37: 2274-84 (1994) Article DOI: 10.1021/jm00041a005 BindingDB Entry DOI: 10.7270/Q29021XP
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