BDBM50281570 1N-benzyl-2-[4-{4-[2-benzylcarbamoyl(benzylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolan-4-ylcarboxamido]butylcarbamoyl}-5,5-dimethyl-(2R,4S)-1,3-thiazolan-2-yl]-2-benzylcarboxamidoacetamide::CHEMBL436266

SMILES: CC1(C)S[C@@H](N[C@H]1C(=O)NCCCCNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=HFLAWQABFGBTLF-OEANBFCYSA-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 = 50281570   

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)	BDBM50281570 (1N-benzyl-2-[4-{4-[2-benzylcarbamoyl(benzylcarboxa...) Show SMILES CC1(C)S[C@@H](N[C@H]1C(=O)NCCCCNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C50H62N8O6S2/c1-49(2)41(57-47(65-49)39(43(61)53-31-35-23-13-7-14-24-35)55-37(59)29-33-19-9-5-10-20-33)45(63)51-27-17-18-28-52-46(64)42-50(3,4)66-48(58-42)40(44(62)54-32-36-25-15-8-16-26-36)56-38(60)30-34-21-11-6-12-22-34/h5-16,19-26,39-42,47-48,57-58H,17-18,27-32H2,1-4H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t39-,40-,41+,42+,47-,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activity				Bioorg Med Chem Lett 3: 503-508 (1993) Article DOI: 10.1016/S0960-894X(01)81216-6 BindingDB Entry DOI: 10.7270/Q2GH9HXV
					More data for this Ligand-Target Pair