Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50403489'   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50403489 (CHEMBL79747) Show SMILES COC(\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H37NO6/c1-4-10-23(33-3)21-15-14-19(2)27(32,17-21)24(29)25(30)28-16-9-8-13-22(28)26(31)34-18-20-11-6-5-7-12-20/h4-7,10-12,19,21-23,32H,8-9,13-18H2,1-3H3/b10-4-/t19-,21-,22+,23?,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of compound against FK506 binding protein 12 was determined				Bioorg Med Chem Lett 5: 2489-2494 (1995) Article DOI: 10.1016/0960-894X(95)00429-W BindingDB Entry DOI: 10.7270/Q24Q7W66
					More data for this Ligand-Target Pair