BDBM128419 US8802724, 23b::US8802724, 23d

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCC(OCc3ccccc3)C12

InChI Key: InChIKey=NVPCFRRKQWRDBN-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 128419   

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 type 1 (HIV-1))	BDBM128419 (US8802724, 23b | US8802724, 23d) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCC(OCc3ccccc3)C12 Show InChI InChI=1S/C35H44N2O9S/c1-24(2)19-37(47(40,41)28-16-14-27(42-3)15-17-28)20-30(38)29(18-25-10-6-4-7-11-25)36-35(39)46-32-23-45-34-33(32)31(22-44-34)43-21-26-12-8-5-9-13-26/h4-17,24,29-34,38H,18-23H2,1-3H3,(H,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description The enzyme inhibitory activity (Ki) was determined according to an assay protocol reported by Toth and Marshall (Toth, M. V.; Marshall, G. R. Int. J....				US Patent US8802724 (2014) BindingDB Entry DOI: 10.7270/Q2445K5D
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1 (HIV-1))	BDBM128419 (US8802724, 23b | US8802724, 23d) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCC(OCc3ccccc3)C12 Show InChI InChI=1S/C35H44N2O9S/c1-24(2)19-37(47(40,41)28-16-14-27(42-3)15-17-28)20-30(38)29(18-25-10-6-4-7-11-25)36-35(39)46-32-23-45-34-33(32)31(22-44-34)43-21-26-12-8-5-9-13-26/h4-17,24,29-34,38H,18-23H2,1-3H3,(H,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description The enzyme inhibitory activity (Ki) was determined according to an assay protocol reported by Toth and Marshall (Toth, M. V.; Marshall, G. R. Int. J....				US Patent US8802724 (2014) BindingDB Entry DOI: 10.7270/Q2445K5D
					More data for this Ligand-Target Pair