BDBM128418 US8802724, 23a::US8802724, 23c

SMILES: COC1COC2OCC(OC(=O)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C12

InChI Key: InChIKey=YOBNNQXGIZIFRK-UHFFFAOYSA-N

Data: 2 KI

PDB links: 3 PDB IDs match this monomer.

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 = 128418   

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))	BDBM128418 (US8802724, 23a | US8802724, 23c) Show SMILES COC1COC2OCC(OC(=O)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C12 Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-28-27(26)25(37-4)17-38-28/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	0.00290	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))	BDBM128418 (US8802724, 23a | US8802724, 23c) Show SMILES COC1COC2OCC(OC(=O)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C12 Show InChI InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-28-27(26)25(37-4)17-38-28/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	0.0350	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