BDBM50127973 (R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid (2,4-dimethyl-pyridin-3-ylmethyl)-amide::CHEMBL299884

SMILES: Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12

InChI Key: InChIKey=SFNAMQNOKAGOEZ-WGHHUXKWSA-N

Data: 3 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 3 hits for monomerid = 50127973   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50127973 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H42N4O6S/c1-21-14-15-36-22(2)26(21)18-37-33(43)31-35(3,4)46-20-39(31)34(44)27(40)17-24(16-23-10-6-5-7-11-23)32(42)38-30-25-12-8-9-13-29(25)45-19-28(30)41/h5-15,24,27-28,30-31,40-41H,16-20H2,1-4H3,(H,37,43)(H,38,42)/t24-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50127973 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H42N4O6S/c1-21-14-15-36-22(2)26(21)18-37-33(43)31-35(3,4)46-20-39(31)34(44)27(40)17-24(16-23-10-6-5-7-11-23)32(42)38-30-25-12-8-9-13-29(25)45-19-28(30)41/h5-15,24,27-28,30-31,40-41H,16-20H2,1-4H3,(H,37,43)(H,38,42)/t24-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50127973 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H42N4O6S/c1-21-14-15-36-22(2)26(21)18-37-33(43)31-35(3,4)46-20-39(31)34(44)27(40)17-24(16-23-10-6-5-7-11-23)32(42)38-30-25-12-8-9-13-29(25)45-19-28(30)41/h5-15,24,27-28,30-31,40-41H,16-20H2,1-4H3,(H,37,43)(H,38,42)/t24-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair