BDBM50046941 CHEMBL175393::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(CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=QTHQMCPKFJNBFV-HLGITPRNSA-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 = 50046941   

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)	BDBM50046941 (CHEMBL175393 | 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(CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C43H65N5O9/c1-6-29(4)38(43(53)44-27-36-45-32-17-11-12-18-33(32)46-36)48-42(52)37(28(2)3)40(50)39(49)34(26-30-14-8-7-9-15-30)47-41(51)31-16-10-13-19-35(31)57-25-24-56-23-22-55-21-20-54-5/h10-13,16-19,28-30,34,37-40,49-50H,6-9,14-15,20-27H2,1-5H3,(H,44,53)(H,45,46)(H,47,51)(H,48,52)/t29?,34?,37-,38+,39-,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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