BDBM122993 US8742158, EX 36

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ncccc1C)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=MSIMMIBPIBEVJQ-WNJJXGMVSA-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 = 122993   

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)	BDBM122993 (US8742158, EX 36) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ncccc1C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)11-6-7-17-36-31(40)29(19-24-10-4-5-12-28(24)33)37-32(41)30-23(3)9-8-18-35-30/h4-5,8-10,12-16,18,22,26,29,39H,6-7,11,17,19-21,34H2,1-3H3,(H,36,40)(H,37,41)/t26-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.503	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