BDBM725 Boc-Monopyrrolinone Inhibitor::Pyrrolinone deriv. 6::Pyrrolinone inhibitor 6::tert-butyl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@H](O)Cc3ccccc23)C1=O

InChI Key: InChIKey=XGMFGBHGPVJDEB-OZFQOWRPSA-N

Data: 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 = 725   

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)	BDBM725 (Boc-Monopyrrolinone Inhibitor | Pyrrolinone deriv....) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@H](O)Cc3ccccc23)C1=O |r,c:29| Show InChI InChI=1S/C35H40N2O5/c1-34(2,3)42-33(41)37-28(18-23-12-6-4-7-13-23)30(39)21-35(20-24-14-8-5-9-15-24)32(40)27(22-36-35)31-26-17-11-10-16-25(26)19-29(31)38/h4-17,22,27-31,38-39H,18-21H2,1-3H3,(H,37,41)/t27?,28-,29+,30-,31?,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleava...				J Med Chem 46: 1831-44 (2003) Article DOI: 10.1021/jm0204587 BindingDB Entry DOI: 10.7270/Q2GQ6VZC
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