BDBM13722 (2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cyclopentylmethyl)-2-hydroxy-N-(4-methoxyphenyl)propane-1-sulfonamido::CHEMBL120684::morpholinone-based inhibitor 1

SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COCC1=O)CC1CCCC1

InChI Key: InChIKey=IOCNYGPHBFUDJN-BJKOFHAPSA-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 = 13722   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM13722 ((2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cycl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COCC1=O)CC1CCCC1 |r| Show InChI InChI=1S/C27H36N2O6S/c1-34-25-11-13-26(14-12-25)36(32,33)28(16-22-9-5-6-10-22)17-24(30)18-29-23(19-35-20-27(29)31)15-21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24,30H,5-6,9-10,15-20H2,1H3/t23-,24+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Compound was assayed for inhibition against HIV protease activity				Bioorg Med Chem Lett 8: 3637-42 (1999) BindingDB Entry DOI: 10.7270/Q2GM86FH
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM13722 ((2S)-3-[(3S)-3-benzyl-5-oxomorpholin-4-yl]-N-(cycl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COCC1=O)CC1CCCC1 |r| Show InChI InChI=1S/C27H36N2O6S/c1-34-25-11-13-26(14-12-25)36(32,33)28(16-22-9-5-6-10-22)17-24(30)18-29-23(19-35-20-27(29)31)15-21-7-3-2-4-8-21/h2-4,7-8,11-14,22-24,30H,5-6,9-10,15-20H2,1H3/t23-,24+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-8.18	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 16: 5226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.07.014 BindingDB Entry DOI: 10.7270/Q24Q7S7D
					More data for this Ligand-Target Pair