BDBM9110 (2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-2-yl}-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::1,3,4-oxadiazole analog 18

SMILES: Cc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1

InChI Key: InChIKey=WXJRLZOLQXZGDY-PIWAQKHNSA-N

Data: 2 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 2 hits for monomerid = 9110   

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 Mutant V-18C (Human immunodeficiency virus type 1)	BDBM9110 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES Cc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C37H43ClF3N7O7/c1-21-45-46-31(54-21)15-23(33(51)44-32-26-6-4-5-7-29(26)53-19-28(32)50)14-25(49)17-47-12-13-48(18-27(47)34(52)43-20-37(39,40)41)36(2,3)35-42-16-30(55-35)22-8-10-24(38)11-9-22/h4-11,16,23,25,27-28,32,49-50H,12-15,17-20H2,1-3H3,(H,43,52)(H,44,51)/t23-,25-,27-,28+,32-/m0/s1	MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
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
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM9110 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES Cc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C37H43ClF3N7O7/c1-21-45-46-31(54-21)15-23(33(51)44-32-26-6-4-5-7-29(26)53-19-28(32)50)14-25(49)17-47-12-13-48(18-27(47)34(52)43-20-37(39,40)41)36(2,3)35-42-16-30(55-35)22-8-10-24(38)11-9-22/h4-11,16,23,25,27-28,32,49-50H,12-15,17-20H2,1-3H3,(H,43,52)(H,44,51)/t23-,25-,27-,28+,32-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0160	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
					More data for this Ligand-Target Pair