BDBM720 Pyrrolinone deriv. 1::Pyrrolinone inhibitor 1::tert-butyl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(1R)-1-carbamoyl-2-phenylethyl]-2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

SMILES: CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)(Cc2ccccc2)C1=O

InChI Key: InChIKey=ZXPYRRBCVSDGNH-NILJFMCASA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 720   

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)	BDBM720 (Pyrrolinone deriv. 1 | Pyrrolinone inhibitor 1 | t...) Show SMILES CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)(Cc2ccccc2)C1=O |r,c:5,24| Show InChI InChI=1S/C43H52N4O6/c1-28(2)23-43(37(49)33(26-46-43)32(39(44)51)21-29-15-9-6-10-16-29)34-27-45-42(38(34)50,24-31-19-13-8-14-20-31)25-36(48)35(22-30-17-11-7-12-18-30)47-40(52)53-41(3,4)5/h6-20,26-28,32-36,48H,21-25H2,1-5H3,(H2,44,51)(H,47,52)/t32-,33?,34?,35+,36+,42+,43+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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