BDBM9141 (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-{furo[3,2-c]pyridin-2-yl}propan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide::CHEMBL79236::P3 pyridylfuran analog 2

SMILES: CC(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)c1cc2cnccc2o1

InChI Key: InChIKey=WMTSGCIMPPZQLI-LZVMDTAVSA-N

Data: 5 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 5 hits for monomerid = 9141   

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)	BDBM9141 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES CC(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)c1cc2cnccc2o1 |r| Show InChI InChI=1S/C38H44F3N5O6/c1-37(2,33-18-26-19-42-13-12-31(26)52-33)46-15-14-45(29(21-46)36(50)43-23-38(39,40)41)20-27(47)17-25(16-24-8-4-3-5-9-24)35(49)44-34-28-10-6-7-11-32(28)51-22-30(34)48/h3-13,18-19,25,27,29-30,34,47-48H,14-17,20-23H2,1-2H3,(H,43,50)(H,44,49)/t25-,27+,29+,30-,34+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	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 K-60C (Human immunodeficiency virus type 1)	BDBM9141 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES CC(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)c1cc2cnccc2o1 |r| Show InChI InChI=1S/C38H44F3N5O6/c1-37(2,33-18-26-19-42-13-12-31(26)52-33)46-15-14-45(29(21-46)36(50)43-23-38(39,40)41)20-27(47)17-25(16-24-8-4-3-5-9-24)35(49)44-34-28-10-6-7-11-32(28)51-22-30(34)48/h3-13,18-19,25,27,29-30,34,47-48H,14-17,20-23H2,1-2H3,(H,43,50)(H,44,49)/t25-,27+,29+,30-,34+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM9141 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES CC(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)c1cc2cnccc2o1 |r| Show InChI InChI=1S/C38H44F3N5O6/c1-37(2,33-18-26-19-42-13-12-31(26)52-33)46-15-14-45(29(21-46)36(50)43-23-38(39,40)41)20-27(47)17-25(16-24-8-4-3-5-9-24)35(49)44-34-28-10-6-7-11-32(28)51-22-30(34)48/h3-13,18-19,25,27,29-30,34,47-48H,14-17,20-23H2,1-2H3,(H,43,50)(H,44,49)/t25-,27+,29+,30-,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against wild-type HIV-1 protease				Bioorg Med Chem Lett 12: 2423-6 (2002) BindingDB Entry DOI: 10.7270/Q2K35T0R
					More data for this Ligand-Target Pair
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1)	BDBM9141 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES CC(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)c1cc2cnccc2o1 |r| Show InChI InChI=1S/C38H44F3N5O6/c1-37(2,33-18-26-19-42-13-12-31(26)52-33)46-15-14-45(29(21-46)36(50)43-23-38(39,40)41)20-27(47)17-25(16-24-8-4-3-5-9-24)35(49)44-34-28-10-6-7-11-32(28)51-22-30(34)48/h3-13,18-19,25,27,29-30,34,47-48H,14-17,20-23H2,1-2H3,(H,43,50)(H,44,49)/t25-,27+,29+,30-,34+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	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)	BDBM9141 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-h...) Show SMILES CC(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)c1cc2cnccc2o1 |r| Show InChI InChI=1S/C38H44F3N5O6/c1-37(2,33-18-26-19-42-13-12-31(26)52-33)46-15-14-45(29(21-46)36(50)43-23-38(39,40)41)20-27(47)17-25(16-24-8-4-3-5-9-24)35(49)44-34-28-10-6-7-11-32(28)51-22-30(34)48/h3-13,18-19,25,27,29-30,34,47-48H,14-17,20-23H2,1-2H3,(H,43,50)(H,44,49)/t25-,27+,29+,30-,34+/m1/s1	MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	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