Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498869'   

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))	BDBM50498869 (CHEMBL3629513) Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(O)=O |r,t:1| Show InChI InChI=1S/C31H32N2O3/c1-21-27-17-16-26(31(35)36)19-29(27)33(30(34)28(32-21)18-22-8-4-2-5-9-22)20-23-12-14-25(15-13-23)24-10-6-3-7-11-24/h2,4-5,8-9,12-17,19,24,28H,3,6-7,10-11,18,20H2,1H3,(H,35,36)/t28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20E+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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