Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50079770'   

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))	BDBM50079770 (C32-O-Phenalkyl ether derivative of Ascomycin | CH...) 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\[C@@H]1CC[C@@H](OCCc2ccccc2)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C51H77NO12/c1-10-38-25-31(2)24-32(3)26-44(60-8)47-45(61-9)28-34(5)51(58,64-47)48(55)49(56)52-22-15-14-18-39(52)50(57)63-46(35(6)40(53)30-41(38)54)33(4)27-37-19-20-42(43(29-37)59-7)62-23-21-36-16-12-11-13-17-36/h11-13,16-17,25,27,32,34-35,37-40,42-47,53,58H,10,14-15,18-24,26,28-30H2,1-9H3/b31-25+,33-27+/t32-,34+,35+,37-,38+,39-,40-,42+,43+,44-,45-,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	PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand				Bioorg Med Chem Lett 9: 2085-8 (1999) BindingDB Entry DOI: 10.7270/Q22806SS
					More data for this Ligand-Target Pair