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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 = 'BDBM286508'   
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))		BDBM286508
PNG
(US9566312, Compound 2.5.1)
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)CO)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-38(13)51(75)50-55(79)65-43(26-2)58(82)67(18)42(17)57(81)72(23)49(39(14)32-74)54(78)66-47(36(9)10)61(85)68(19)44(29-33(3)4)53(77)63-40(15)52(76)64-41(16)56(80)69(20)45(30-34(5)6)59(83)70(21)46(31-35(7)8)60(84)71(22)48(37(11)12)62(86)73(50)24/h25,27,33-51,74-75H,26,28-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t38-,39-,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.20n/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