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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 = 'BDBM286527'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peptidyl-prolyl cis-trans isomerase F, mitochondrial


(Homo sapiens (Human))		BDBM286527
PNG
(US9566312, Compound 2.5.8)
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)N2CCC(O)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C68H120N12O15/c1-25-27-28-42(13)56(82)55-60(86)71-48(26-2)63(89)73(18)46(17)62(88)78(23)54(43(14)36-95-68(94)80-31-29-47(81)30-32-80)59(85)72-52(40(9)10)66(92)74(19)49(33-37(3)4)58(84)69-44(15)57(83)70-45(16)61(87)75(20)50(34-38(5)6)64(90)76(21)51(35-39(7)8)65(91)77(22)53(41(11)12)67(93)79(55)24/h25,27,37-56,81-82H,26,28-36H2,1-24H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b27-25+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1n/an/an/a7.4n/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
More data for this
Ligand-Target Pair