Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50064374'   

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))	BDBM50064374 (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)N(C)c2ccccc2)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H78N2O13/c1-11-37-24-31(2)23-32(3)25-44(63-9)48-45(64-10)27-34(5)52(61,67-48)49(58)50(59)54-22-16-15-19-39(54)51(60)66-47(35(6)40(55)29-41(37)56)33(4)26-36-20-21-42(43(28-36)62-8)65-30-46(57)53(7)38-17-13-12-14-18-38/h12-14,17-18,24,26,32,34-37,39-40,42-45,47-48,55,61H,11,15-16,19-23,25,27-30H2,1-10H3/b31-24+,33-26+/t32-,34+,35+,36?,37+,39-,40-,42+,43+,44-,45-,47+,48+,52+/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	2.90	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