null

SMILES: CSCCC(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(CCSC)C(O)=O)C(O)=O

InChI Key: InChIKey=QCXMKACQWGLSMU-JKXUJLOOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121514   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121514 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-3-methylsulfan...) Show SMILES CSCCC(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(CCSC)C(O)=O)C(O)=O Show InChI InChI=1S/C32H44N2O10S2/c1-33(23(31(39)40)15-17-45-3)29(37)27(43-19-21-11-7-5-8-12-21)25(35)26(36)28(44-20-22-13-9-6-10-14-22)30(38)34(2)24(32(41)42)16-18-46-4/h5-14,23-28,35-36H,15-20H2,1-4H3,(H,39,40)(H,41,42)/t23?,24?,25-,26-,27-,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	1.30	n/a	n/a	3.48E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121514 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-3-methylsulfan...) Show SMILES CSCCC(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(CCSC)C(O)=O)C(O)=O Show InChI InChI=1S/C32H44N2O10S2/c1-33(23(31(39)40)15-17-45-3)29(37)27(43-19-21-11-7-5-8-12-21)25(35)26(36)28(44-20-22-13-9-6-10-14-22)30(38)34(2)24(32(41)42)16-18-46-4/h5-14,23-28,35-36H,15-20H2,1-4H3,(H,39,40)(H,41,42)/t23?,24?,25-,26-,27-,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	0.474	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair