BDBM50283730 (S)-4-(2,6-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-3-yl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL318525

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=SGZKFBCCMDSJAH-ZBCLOIOMSA-N

Data: 1 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 1 hit for monomerid = 50283730   

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)	BDBM50283730 ((S)-4-(2,6-Difluoro-benzyl)-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45F2N5O4/c1-36(2,3)41-35(47)31-22-42(21-28-29(37)11-6-12-30(28)38)14-15-43(31)20-26(44)17-25(16-23-8-7-13-39-19-23)34(46)40-33-27-10-5-4-9-24(27)18-32(33)45/h4-13,19,25-26,31-33,44-45H,14-18,20-22H2,1-3H3,(H,40,46)(H,41,47)/t25-,26+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Immunodeficiency virus-1 protease				Bioorg Med Chem Lett 4: 2769-2774 (1994) Article DOI: 10.1016/S0960-894X(01)80592-8 BindingDB Entry DOI: 10.7270/Q25B02F8
					More data for this Ligand-Target Pair