Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50064363'   

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))	BDBM50064363 (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)NCCc2ccccc2)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C53H80N2O13/c1-10-39-25-32(2)24-33(3)26-45(64-8)49-46(65-9)28-35(5)53(62,68-49)50(59)51(60)55-23-15-14-18-40(55)52(61)67-48(36(6)41(56)30-42(39)57)34(4)27-38-19-20-43(44(29-38)63-7)66-31-47(58)54-22-21-37-16-12-11-13-17-37/h11-13,16-17,25,27,33,35-36,38-41,43-46,48-49,56,62H,10,14-15,18-24,26,28-31H2,1-9H3,(H,54,58)/b32-25+,34-27+/t33-,35+,36+,38?,39+,40-,41-,43+,44+,45-,46-,48+,49+,53+/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	13	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