BDBM9145 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{[5-(pyridin-2-yl)furan-2-yl]methyl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::P3 biaryl pyridylfuran analog 6

SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F

InChI Key: InChIKey=VJEYRJGOROCIKW-NKDCNHMZSA-N

Data: 4 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 4 hits for monomerid = 9145   

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)	BDBM9145 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-28-13-14-34(52-28)30-11-6-7-15-42-30)16-17-46(31)20-27(47)19-26(18-25-8-2-1-3-9-25)36(49)44-35-29-10-4-5-12-33(29)51-23-32(35)48/h1-15,26-27,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t26-,27+,31+,32-,35+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	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
					More data for this Ligand-Target Pair
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1)	BDBM9145 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-28-13-14-34(52-28)30-11-6-7-15-42-30)16-17-46(31)20-27(47)19-26(18-25-8-2-1-3-9-25)36(49)44-35-29-10-4-5-12-33(29)51-23-32(35)48/h1-15,26-27,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t26-,27+,31+,32-,35+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	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: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
					More data for this Ligand-Target Pair
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1)	BDBM9145 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-28-13-14-34(52-28)30-11-6-7-15-42-30)16-17-46(31)20-27(47)19-26(18-25-8-2-1-3-9-25)36(49)44-35-29-10-4-5-12-33(29)51-23-32(35)48/h1-15,26-27,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t26-,27+,31+,32-,35+/m1/s1	MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	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: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
					More data for this Ligand-Target Pair
HIV-1 Protease Mutant K-60C (Human immunodeficiency virus type 1)	BDBM9145 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-28-13-14-34(52-28)30-11-6-7-15-42-30)16-17-46(31)20-27(47)19-26(18-25-8-2-1-3-9-25)36(49)44-35-29-10-4-5-12-33(29)51-23-32(35)48/h1-15,26-27,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t26-,27+,31+,32-,35+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
					More data for this Ligand-Target Pair