Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498847'   

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))	BDBM50498847 (CHEMBL3629630) Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)C1=O)C(O)=O |r,t:5| Show InChI InChI=1S/C29H34N4O6/c1-19(2)15-24-27(35)33(25-16-22(28(36)37)9-10-23(25)20(3)30-24)17-26(34)31-11-13-32(14-12-31)29(38)39-18-21-7-5-4-6-8-21/h4-10,16,19,24H,11-15,17-18H2,1-3H3,(H,36,37)/t24-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...				Bioorg Med Chem 23: 7095-109 (2015) Article DOI: 10.1016/j.bmc.2015.09.002 BindingDB Entry DOI: 10.7270/Q2JH3Q5T
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