Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498836'   

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))	BDBM50498836 (CHEMBL3629508) Show SMILES [H][C@]1(N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C)[C@@H](C)CC |r,t:2| Show InChI InChI=1S/C32H42N2O3/c1-7-21(2)29-30(35)34(20-23-13-15-25(16-14-23)24-11-9-8-10-12-24)28-19-26(31(36)37-32(4,5)6)17-18-27(28)22(3)33-29/h13-19,21,24,29H,7-12,20H2,1-6H3/t21-,29-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+5	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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