BDBM50041947 4N-{2-[5-ethylcarbamoyl(phenylcarboxamido)methyl-2,2,4-trimethyl-(3S,5S)-tetrahydro-3-thiophenylcarboxamido]ethyl}-2-ethylcarbamoyl(phenylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolane-4-carboxamide::CHEMBL318180

SMILES: CCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2ccccc2)C(=O)NCC)C(C)(C)S1

InChI Key: InChIKey=MXNDJZKEFYGXNY-GWXJXUJFSA-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 = 50041947   

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)	BDBM50041947 (4N-{2-[5-ethylcarbamoyl(phenylcarboxamido)methyl-2...) Show SMILES CCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2ccccc2)C(=O)NCC)C(C)(C)S1 Show InChI InChI=1S/C36H50N8O6S2/c1-7-37-29(47)23(41-27(45)21-15-11-9-12-16-21)33-43-25(35(3,4)51-33)31(49)39-19-20-40-32(50)26-36(5,6)52-34(44-26)24(30(48)38-8-2)42-28(46)22-17-13-10-14-18-22/h9-18,23-26,33-34,43-44H,7-8,19-20H2,1-6H3,(H,37,47)(H,38,48)(H,39,49)(H,40,50)(H,41,45)(H,42,46)/t23-,24-,25+,26?,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Limited Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease				J Med Chem 36: 3113-9 (1993) BindingDB Entry DOI: 10.7270/Q2057F0C
					More data for this Ligand-Target Pair