Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.7 BDBM50498823

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50498823 (CHEMBL3629629) Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(CC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)C1=O)C(=O)OC(C)(C)C |r,t:5| Show InChI InChI=1S/C33H42N4O6/c1-22(2)18-27-30(39)37(28-19-25(31(40)43-33(4,5)6)12-13-26(28)23(3)34-27)20-29(38)35-14-16-36(17-15-35)32(41)42-21-24-10-8-7-9-11-24/h7-13,19,22,27H,14-18,20-21H2,1-6H3/t27-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+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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