BDBM9159 (2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 benzofuran analog 9

SMILES: O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=GBGNQOSPNHQALW-CEWIDEQNSA-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 = 9159   

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)	BDBM9159 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-8-3-6-23-15-26(51-33(23)28)18-44-11-12-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)14-24(13-22-5-4-10-41-16-22)34(48)43-32-27-7-1-2-9-31(27)50-20-30(32)47/h1-10,15-16,24-25,29-30,32,46-47H,11-14,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	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 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM9159 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-8-3-6-23-15-26(51-33(23)28)18-44-11-12-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)14-24(13-22-5-4-10-41-16-22)34(48)43-32-27-7-1-2-9-31(27)50-20-30(32)47/h1-10,15-16,24-25,29-30,32,46-47H,11-14,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/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: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair