BDBM9119 (2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]butyl]-4-{2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::1,3,4-oxadiazole analog 27

SMILES: CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2cncc(OC)c2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1

InChI Key: InChIKey=PWADXWIFOJNIFZ-ZEERHGJKSA-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 = 9119   

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)	BDBM9119 ((2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2cncc(OC)c2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C39H49F3N8O8/c1-5-8-32-47-48-33(58-32)15-23(35(53)46-34-27-9-6-7-10-30(27)56-21-29(34)52)13-25(51)19-49-11-12-50(20-28(49)36(54)45-22-39(40,41)42)38(2,3)37-44-18-31(57-37)24-14-26(55-4)17-43-16-24/h6-7,9-10,14,16-18,23,25,28-29,34,51-52H,5,8,11-13,15,19-22H2,1-4H3,(H,45,54)(H,46,53)/t23-,25-,28-,29+,34-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	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 14: 4651-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.092 BindingDB Entry DOI: 10.7270/Q22Z13QX
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