Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50064370'   

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))	BDBM50064370 (2-{4-[2-(17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-1...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OCC(=O)Nc2cccc(c2)C(F)(F)F)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H75F3N2O13/c1-10-35-21-29(2)20-30(3)22-43(66-8)47-44(67-9)24-32(5)51(64,70-47)48(61)49(62)57-19-12-11-16-38(57)50(63)69-46(33(6)39(58)27-40(35)59)31(4)23-34-17-18-41(42(25-34)65-7)68-28-45(60)56-37-15-13-14-36(26-37)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-44,46-47,58,64H,10-12,16-20,22,24-25,27-28H2,1-9H3,(H,56,60)/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39-,41+,42+,43-,44-,46+,47+,51+/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 PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory binding activity against human Immunophilin-FK506 binding protein 12				J Med Chem 41: 1764-76 (1998) Article DOI: 10.1021/jm960066y BindingDB Entry DOI: 10.7270/Q2319V0N
					More data for this Ligand-Target Pair