BDBM50046421 CHEMBL112846::N-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(2-morpholin-4-yl-acetylamino)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(2-morpholin-4-yl-acetylamino)-butyramide

SMILES: CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CN1CCOCC1)C(C)C

InChI Key: InChIKey=YHKZDBALMCNUQR-VSDRLFPDSA-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 = 50046421   

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)	BDBM50046421 (CHEMBL112846 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...) Show SMILES CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CN1CCOCC1)C(C)C Show InChI InChI=1S/C40H60N6O8/c1-27(2)35(43-33(47)25-45-15-19-53-20-16-45)39(51)41-31(23-29-11-7-5-8-12-29)37(49)38(50)32(24-30-13-9-6-10-14-30)42-40(52)36(28(3)4)44-34(48)26-46-17-21-54-22-18-46/h5-14,27-28,31-32,35-38,49-50H,15-26H2,1-4H3,(H,41,51)(H,42,52)(H,43,47)(H,44,48)/t31-,32-,35-,36+,37+,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay				J Med Chem 36: 320-30 (1993) BindingDB Entry DOI: 10.7270/Q25B01J6
					More data for this Ligand-Target Pair