BDBM50041948 4N-{2-[5-ethylcarbamoyl(2-phenylphenylcarboxamido)methyl-2,2,4-trimethyl-(3S,5S)-tetrahydro-3-thiophenylcarboxamido]ethyl}-2-ethylcarbamoyl(2-phenylphenylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolane-4-carboxamide::CHEMBL323318

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

InChI Key: InChIKey=IHQOLDBRNQEINO-HQCZKZCASA-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 = 50041948   

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)	BDBM50041948 (4N-{2-[5-ethylcarbamoyl(2-phenylphenylcarboxamido)...) Show SMILES CCNC(=O)[C@@H](NC(=O)c1ccccc1-c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCC)C(C)(C)S1 Show InChI InChI=1S/C48H58N8O6S2/c1-7-49-41(59)35(53-39(57)33-25-17-15-23-31(33)29-19-11-9-12-20-29)45-55-37(47(3,4)63-45)43(61)51-27-28-52-44(62)38-48(5,6)64-46(56-38)36(42(60)50-8-2)54-40(58)34-26-18-16-24-32(34)30-21-13-10-14-22-30/h9-26,35-38,45-46,55-56H,7-8,27-28H2,1-6H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)(H,53,57)(H,54,58)/t35-,36-,37+,38?,45-,46-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.90	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