Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50067603'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50067603 (CHEMBL3400721) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(CC(=O)N(C)C)c1cccc(O)c1C)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C34H46N4O7S/c1-24(2)19-38(46(44,45)28-16-14-27(23-39)15-17-28)20-32(41)29(18-26-10-7-6-8-11-26)35-33(42)21-37(22-34(43)36(4)5)30-12-9-13-31(40)25(30)3/h6-17,24,29,32,39-41H,18-23H2,1-5H3,(H,35,42)/t29-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	25
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...				Bioorg Med Chem Lett 25: 1880-3 (2015) Article DOI: 10.1016/j.bmcl.2015.03.047 BindingDB Entry DOI: 10.7270/Q2FT8NQ7
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