Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.7 BDBM50479300

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))	BDBM50479300 (COLOSSOLACTONE A) Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(COC(C)=O)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)C(O)C\C=C(\C)CO |r,c:6| Show InChI InChI=1S/C32H52O5/c1-20(18-33)8-10-26(35)21(2)23-12-15-31(7)24-9-11-27-29(4,5)28(36)14-17-32(27,19-37-22(3)34)25(24)13-16-30(23,31)6/h8,21,23,26-28,33,35-36H,9-19H2,1-7H3/b20-8-/t21-,23+,26?,27-,28-,30+,31-,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 protease				J Nat Prod 71: 1022-6 (2008) Article DOI: 10.1021/np8001139 BindingDB Entry DOI: 10.7270/Q2319ZPV
					More data for this Ligand-Target Pair