Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498870'   

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))	BDBM50498870 (CHEMBL3629372) Show SMILES CC1=N[C@@H](Cc2ccccc2)C(=O)Nc2cc(ccc12)C(=O)OC(C)(C)C |r,t:1| Show InChI InChI=1S/C22H24N2O3/c1-14-17-11-10-16(21(26)27-22(2,3)4)13-18(17)24-20(25)19(23-14)12-15-8-6-5-7-9-15/h5-11,13,19H,12H2,1-4H3,(H,24,25)/t19-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+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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