BDBM9152 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 pyridyl oxazole analog 10

SMILES: COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F

InChI Key: InChIKey=CWAPFPHVCGEYRK-YKTJUOTHSA-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 = 9152   

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)	BDBM9152 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C40H47F3N6O7/c1-39(2,38-45-20-34(56-38)27-17-29(54-3)19-44-18-27)49-14-13-48(31(22-49)37(53)46-24-40(41,42)43)21-28(50)16-26(15-25-9-5-4-6-10-25)36(52)47-35-30-11-7-8-12-33(30)55-23-32(35)51/h4-12,17-20,26,28,31-32,35,50-51H,13-16,21-24H2,1-3H3,(H,46,53)(H,47,52)/t26-,28+,31+,32-,35+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 2573-6 (2003) Article DOI: 10.1016/s0960-894x(03)00474-8 BindingDB Entry DOI: 10.7270/Q2TD9VJ4
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