BDBM50109711 (S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(1-methyl-1H-indol-3-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL151824

SMILES: Cn1cc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)c2ccccc12

InChI Key: InChIKey=WPECFSSKCMFDKA-FAPGSCBKSA-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 = 50109711   

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)	BDBM50109711 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1cc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C40H51N5O4/c1-40(2,3)42-39(49)35-26-44(24-30-23-43(4)34-17-11-10-15-32(30)34)18-19-45(35)25-31(46)21-29(20-27-12-6-5-7-13-27)38(48)41-37-33-16-9-8-14-28(33)22-36(37)47/h5-17,23,29,31,35-37,46-47H,18-22,24-26H2,1-4H3,(H,41,48)(H,42,49)/t29-,31+,35+,36-,37?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50109711 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1cc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)c2ccccc12 Show InChI InChI=1S/C40H51N5O4/c1-40(2,3)42-39(49)35-26-44(24-30-23-43(4)34-17-11-10-15-32(30)34)18-19-45(35)25-31(46)21-29(20-27-12-6-5-7-13-27)38(48)41-37-33-16-9-8-14-28(33)22-36(37)47/h5-17,23,29,31,35-37,46-47H,18-22,24-26H2,1-4H3,(H,41,48)(H,42,49)/t29-,31+,35+,36-,37?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair