BDBM50282500 ({(S)-3-Methyl-2-[2-((S)-2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-methyl)-({(S)-3-methyl-2-[(S)-2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-methyl)-phosphinic acid::CHEMBL277579

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NCP(O)(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C

InChI Key: InChIKey=TUQBWHDOOSUSSD-VNXDFUDDSA-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 = 50282500   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282500 (({(S)-3-Methyl-2-[2-((S)-2-methyl-propane-2-sulfon...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NCP(O)(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C48H67N4O10PS2/c1-31(2)41(51-43(53)37(27-64(59,60)47(5,6)7)25-35-21-15-19-33-17-11-13-23-39(33)35)45(55)49-29-63(57,58)30-50-46(56)42(32(3)4)52-44(54)38(28-65(61,62)48(8,9)10)26-36-22-16-20-34-18-12-14-24-40(34)36/h11-24,31-32,37-38,41-42H,25-30H2,1-10H3,(H,49,55)(H,50,56)(H,51,53)(H,52,54)(H,57,58)/t37-,38-,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity if the compound was determined against HIV protease				Bioorg Med Chem Lett 4: 1191-1194 (1994) Article DOI: 10.1016/S0960-894X(01)80327-9 BindingDB Entry DOI: 10.7270/Q28G8KM2
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