Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Albumin' and Ligand = 'BDBM50197885'   

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
Albumin (Homo sapiens (Human))	BDBM50197885 (CHEMBL3940890) Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
University of the Pacific Curated by ChEMBL					Assay Description Binding affinity to human serum albumin by ITC method				J Med Chem 61: 7862-7876 (2018) Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS
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