BDBM50282102 1-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-5-phenyl-pentyl)-piperidine-2-carboxylic acid tert-butylamide::CHEMBL42366

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCCCC1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1

InChI Key: InChIKey=VIXULTRKHNJGCZ-PQXFRLIOSA-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 = 50282102   

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)	BDBM50282102 (1-((R)-2-Hydroxy-4-{(1S,2S)-2-methyl-1-[(pyridin-2...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCCCC1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C34H51N5O4/c1-6-24(2)30(33(43)36-22-27-16-10-12-18-35-27)37-31(41)26(20-25-14-8-7-9-15-25)21-28(40)23-39-19-13-11-17-29(39)32(42)38-34(3,4)5/h7-10,12,14-16,18,24,26,28-30,40H,6,11,13,17,19-23H2,1-5H3,(H,36,43)(H,37,41)(H,38,42)/t24-,26+,28?,29?,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair