BDBM123001 US8742158, EX 31

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1=C(Br)CCC=C1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=KJFYYEJRLBTTOZ-LSYYVWMOSA-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 = 123001   

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,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM123001 (US8742158, EX 31) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](CC1=C(Br)CCC=C1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2OCCOc2c1 |r,c:17,22| Show InChI InChI=1S/C32H47BrN4O8S/c1-23(2)21-37(46(41,42)26-10-11-29-30(20-26)45-18-17-44-29)25(22-38)8-5-6-12-34-31(39)28(19-24-7-3-4-9-27(24)33)35-32(40)36-13-15-43-16-14-36/h3,7,10-11,20,23,25,28,38H,4-6,8-9,12-19,21-22H2,1-2H3,(H,34,39)(H,35,40)/t25-,28-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.66	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
					More data for this Ligand-Target Pair