Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50064367'   

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))	BDBM50064367 (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)Nc2ccc(cc2)N2CCOCC2)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C55H83N3O14/c1-10-39-26-33(2)25-34(3)27-47(67-8)51-48(68-9)29-36(5)55(65,72-51)52(62)53(63)58-20-12-11-13-42(58)54(64)71-50(37(6)43(59)31-44(39)60)35(4)28-38-14-19-45(46(30-38)66-7)70-32-49(61)56-40-15-17-41(18-16-40)57-21-23-69-24-22-57/h15-18,26,28,34,36-39,42-43,45-48,50-51,59,65H,10-14,19-25,27,29-32H2,1-9H3,(H,56,61)/b33-26+,35-28+/t34-,36+,37+,38?,39+,42-,43-,45+,46+,47-,48-,50+,51+,55+/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	19	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