BDBM50046385 CHEMBL331363::N-{1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-3-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-3-ylmethyl-ureido)-butyramide

SMILES: CC(C)[C@H](NC(=O)N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1cccnc1)C(C)C

InChI Key: InChIKey=BAFXFUOJGBYTOY-JIBQIMBESA-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 = 50046385   

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)	BDBM50046385 (CHEMBL331363 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1cccnc1)C(C)C Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-19-13-21-45-25-33)41(55)47-35(23-31-15-9-7-10-16-31)39(53)40(54)36(24-32-17-11-8-12-18-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-20-14-22-46-26-34/h7-22,25-26,29-30,35-40,53-54H,23-24,27-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38+,39+,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	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
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