BDBM25373 (R)-(hydroxyethylamino)sulfonamide isostere, 3j::1,4,7,10-tetraoxacyclotridecan-12-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate::US8501961, 24::US8501961, 3j

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCCOCCOC1

InChI Key: InChIKey=GIMVBMLYXOBVGH-XZWHSSHBSA-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 = 25373   

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 group M subtyp...)	BDBM25373 ((R)-(hydroxyethylamino)sulfonamide isostere, 3j | ...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCCOCCOC1 |r| Show InChI InChI=1S/C31H46N2O10S/c1-24(2)20-33(44(36,37)28-11-9-26(38-3)10-12-28)21-30(34)29(19-25-7-5-4-6-8-25)32-31(35)43-27-22-41-17-15-39-13-14-40-16-18-42-23-27/h4-12,24,27,29-30,34H,13-23H2,1-3H3,(H,32,35)/t29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Enzyme inhibitory assay utilizes a protocol described by Toth and Marshall (Toth, M. V.; Marshall G.R. A simple, continuous fluormetric assay for HIV...				US Patent US8501961 (2013) BindingDB Entry DOI: 10.7270/Q2TD9VZH
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM25373 ((R)-(hydroxyethylamino)sulfonamide isostere, 3j | ...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCCOCCOC1 |r| Show InChI InChI=1S/C31H46N2O10S/c1-24(2)20-33(44(36,37)28-11-9-26(38-3)10-12-28)21-30(34)29(19-25-7-5-4-6-8-25)32-31(35)43-27-22-41-17-15-39-13-14-40-16-18-42-23-27/h4-12,24,27,29-30,34H,13-23H2,1-3H3,(H,32,35)/t29-,30+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	-10.2	n/a	n/a	n/a	n/a	n/a	6.4	25
Purdue University					Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...				J Med Chem 51: 6021-33 (2008) Article DOI: 10.1021/jm8004543 BindingDB Entry DOI: 10.7270/Q2G15Z51
					More data for this Ligand-Target Pair