Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50064360'   

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))	BDBM50064360 (CHEMBL296160 | {4-[2-(17-Ethyl-1,14-dihydroxy-23,2...) 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)N2CCCCC2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OCC(=O)OCc2ccccc2)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C52H77NO14/c1-10-38-23-31(2)22-32(3)24-44(62-8)48-45(63-9)26-34(5)52(60,67-48)49(57)50(58)53-21-15-14-18-39(53)51(59)66-47(35(6)40(54)28-41(38)55)33(4)25-37-19-20-42(43(27-37)61-7)64-30-46(56)65-29-36-16-12-11-13-17-36/h11-13,16-17,23,25,32,34-35,37-40,42-45,47-48,54,60H,10,14-15,18-22,24,26-30H2,1-9H3/b31-23+,33-25+/t32-,34+,35+,37?,38+,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	68	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