Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM257517'   

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))	BDBM257517 (US9505773, 10) Show SMILES CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](O)C1 |r,c:29,t:42,44,46| Show InChI InChI=1S/C46H71NO11/c1-28-13-9-8-10-14-30(3)42(56-7)26-35-19-17-33(6)46(55,58-35)43(52)44(53)47-22-12-11-15-36(47)45(54)57-41(32(5)24-34-18-20-37(48)40(51)25-34)21-16-29(2)38(49)27-39(50)31(4)23-28/h8-10,13-14,16,28,31-38,40-42,48-49,51,55H,11-12,15,17-27H2,1-7H3/b10-8+,13-9+,29-16+,30-14+/t28-,31-,32-,33-,34+,35+,36+,37-,38+,40-,41?,42+,46-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Isomerase Therapeutics Ltd. US Patent					Assay Description The assay was conducted at 10° C. in 50 mM Tris buffer at pH8.0, 50 μM DTT, 100 mM NaCl, 0.005% NP40 with 6 nM FKBP12 and 60 μM substrate (...				US Patent US9505773 (2016) BindingDB Entry DOI: 10.7270/Q2P849TK
					More data for this Ligand-Target Pair