BDBM123013 US8742158, EX 24

SMILES: COC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=MUGPCJSECROUMS-ZCYQVOJMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123013   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM123013 (US8742158, EX 24) Show SMILES COC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H46N4O6S/c1-20(2)18-31(38(35,36)24-14-12-22(28)13-15-24)23(19-32)11-7-8-16-29-26(33)25(30-27(34)37-3)17-21-9-5-4-6-10-21/h12-15,20-21,23,25,32H,4-11,16-19,28H2,1-3H3,(H,29,33)(H,30,34)/t23-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.21	n/a	n/a	n/a	n/a	n/a	n/a
TaiMed Biologies, Inc. US Patent					Assay Description This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...				US Patent US8742158 (2014) BindingDB Entry DOI: 10.7270/Q27H1H7P
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