Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50285472'   

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))	BDBM50285472 (18-(E)-allyl-11,21-Dihydroxy-23-[2-((R)-4-hydroxy-...) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:43| Show InChI InChI=1S/C44H71NO11/c1-10-13-32-19-26(2)18-27(3)21-39(54-8)41(50)40(55-9)22-28(4)20-37(49)43(51)45-17-12-11-14-33(45)44(52)56-42(30(6)35(47)25-36(32)48)29(5)23-31-15-16-34(46)38(24-31)53-7/h10,19,23,27-28,30-35,38-42,46-47,50H,1,11-18,20-22,24-25H2,2-9H3/b26-19+,29-23+/t27-,28-,30+,31-,32+,33-,34+,35-,38+,39-,40-,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to FK506 binding protein 12 was determined				Bioorg Med Chem Lett 5: 2341-2346 (1995) Article DOI: 10.1016/0960-894X(95)00404-H BindingDB Entry DOI: 10.7270/Q2JQ11HB
					More data for this Ligand-Target Pair