Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM36616'   

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))	BDBM36616 (Rapamycin C-7, analog 8a) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C58H85NO14/c1-34-17-13-12-14-18-35(2)45(44-24-23-42(68-8)32-50(44)69-9)31-43-22-20-40(7)58(67,73-43)55(64)56(65)59-26-16-15-19-46(59)57(66)72-49(37(4)29-41-21-25-47(60)51(30-41)70-10)33-48(61)36(3)28-39(6)53(63)54(71-11)52(62)38(5)27-34/h12-14,17-18,23-24,28,32,34,36-38,40-41,43,45-47,49,51,53-54,60,63,67H,15-16,19-22,25-27,29-31,33H2,1-11H3/b14-12+,17-13+,35-18+,39-28+/t34-,36-,37-,38-,40-,41+,43+,45-,46+,47-,49+,51-,53-,54+,58-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair