BDBM9187 (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[(4-hydroxyphenyl)methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::pyrrolidinone based inhibitor 1e

SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(O)cc2)C[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=RKCCDXWHAMECFQ-BPZQGUOHSA-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 = 9187   

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)	BDBM9187 ((2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[(4-hydroxy...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(O)cc2)C[C@H](Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C39H42N2O5/c42-33-17-15-28(16-18-33)21-32-22-31(20-27-11-5-2-6-12-27)39(46)41(32)25-34(43)23-30(19-26-9-3-1-4-10-26)38(45)40-37-35-14-8-7-13-29(35)24-36(37)44/h1-18,30-32,34,36-37,42-44H,19-25H2,(H,40,45)/t30-,31+,32+,34+,36-,37+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	-13.5	200	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
					More data for this Ligand-Target Pair