Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase F, mitochondrial' and Ligand = 'BDBM286596'   

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 F, mitochondrial (Homo sapiens (Human))	BDBM286596 (US9566312, Compound 2.17.14) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)COC(=O)N2CCN(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H123N13O14/c1-26-29-30-44(14)57(83)56-61(87)72-49(27-2)64(90)74(19)48(18)63(89)79(24)55(45(15)38-96-69(95)82-33-31-81(28-3)32-34-82)60(86)73-53(42(10)11)67(93)75(20)50(35-39(4)5)59(85)70-46(16)58(84)71-47(17)62(88)76(21)51(36-40(6)7)65(91)77(22)52(37-41(8)9)66(92)78(23)54(43(12)13)68(94)80(56)25/h26,29,39-57,83H,27-28,30-38H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b29-26+/t44-,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...				US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1
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