BDBM50481023 CHEMBL566849

SMILES: CCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C

InChI Key: InChIKey=HTQXUANCQYWUAE-GUGFCMTPSA-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 = 50481023   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481023 (CHEMBL566849) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC)NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C |r| Show InChI InChI=1S/C64H82N4O10S2/c1-9-23-53(65-59(71)49(41-79(75,76)63(3,4)5)39-47-33-21-31-45-29-17-19-35-51(45)47)61(73)67-55(37-43-25-13-11-14-26-43)57(69)58(70)56(38-44-27-15-12-16-28-44)68-62(74)54(24-10-2)66-60(72)50(42-80(77,78)64(6,7)8)40-48-34-22-32-46-30-18-20-36-52(46)48/h11-22,25-36,49-50,53-58,69-70H,9-10,23-24,37-42H2,1-8H3,(H,65,71)(H,66,72)(H,67,73)(H,68,74)/t49-,50-,53+,54+,55+,56+,57-,58-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair