BDBM50046940 CHEMBL176353::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)c1ccccc1OCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=HGDZKFNWSBNKJG-RHNIOPOHSA-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 = 50046940   

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)	BDBM50046940 (CHEMBL176353 | 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)c1ccccc1OCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C44H59N5O7/c1-5-29(4)39(44(54)45-27-37-46-33-21-13-14-22-34(33)47-37)49-43(53)38(28(2)3)41(51)40(50)35(26-30-16-8-6-9-17-30)48-42(52)32-20-12-15-23-36(32)56-25-24-55-31-18-10-7-11-19-31/h7,10-15,18-23,28-30,35,38-41,50-51H,5-6,8-9,16-17,24-27H2,1-4H3,(H,45,54)(H,46,47)(H,48,52)(H,49,53)/t29?,35-,38+,39-,40+,41+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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
					More data for this Ligand-Target Pair