Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Actin' and Ligand = 'BDBM65506'   

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
Actin (Baker's yeast)	BDBM65506 (CHEBI:80062 | Chivosazole F | SCHEMBL1889389) Show SMILES COC1CC(O)\C=C\C=C\C=C/C(C)C(OC(=O)\C=C/C=C/C=C\C(\C)=C\C(C)C(O)\C=C/C=C/c2coc(n2)C1C)C(C)C(O)CC(C)O |c:10,18,22,31,t:6,8,20,25,33| Show InChI InChI=1S/C41H57NO8/c1-28-18-12-8-11-15-23-39(47)50-40(32(5)37(46)25-31(4)43)29(2)19-13-9-10-14-21-35(44)26-38(48-7)33(6)41-42-34(27-49-41)20-16-17-22-36(45)30(3)24-28/h8-24,27,29-33,35-38,40,43-46H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	30
Novartis Pharma AG					Assay Description Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...				ACS Chem Biol 12: 2264-2269 (2017) Article DOI: 10.1021/acschembio.7b00385 BindingDB Entry DOI: 10.7270/Q25B00MP
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