BDBM50046938 CHEMBL366392::N-(4-{1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(2-methoxy-ethoxy)-ethoxy]-benzamide

SMILES: CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCOCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=UMAKHJJEZDCGNK-SISCPNMGSA-N

Data: 1 KI

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 = 50046938   

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)	BDBM50046938 (CHEMBL366392 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCOCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H59N5O7/c1-5-27(4)36(40(50)41-25-33-42-30-18-12-13-19-31(30)43-33)45-39(49)35(26(2)3)38(48)37(47)32(24-28-14-8-6-9-15-28)44-34(46)20-21-51-22-23-52-29-16-10-7-11-17-29/h7,10-13,16-19,26-28,32,35-38,47-48H,5-6,8-9,14-15,20-25H2,1-4H3,(H,41,50)(H,42,43)(H,44,46)(H,45,49)/t27?,32-,35+,36-,37+,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 36: 941-52 (1993) BindingDB Entry DOI: 10.7270/Q2VX0H54
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