BDBM9188 (2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)pentanamide::pyrrolidinone based inhibitor 1f

SMILES: O[C@@H](C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=LXCFLCBSDJGXNU-HYESOODXSA-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 = 9188   

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)	BDBM9188 ((2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-...) Show SMILES O[C@@H](C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C45H53N3O6/c49-39(31-48-38(27-33-11-5-2-6-12-33)28-37(45(48)52)26-32-9-3-1-4-10-32)29-36(44(51)46-43-41-14-8-7-13-35(41)30-42(43)50)25-34-15-17-40(18-16-34)54-24-21-47-19-22-53-23-20-47/h1-18,36-39,42-43,49-50H,19-31H2,(H,46,51)/t36-,37+,38+,39+,42-,43+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	-13.4	83	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 15: 81-4 (2005) Article DOI: 10.1016/j.bmcl.2004.10.029 BindingDB Entry DOI: 10.7270/Q29G5K1M
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