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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 A' and Ligand = 'BDBM286506'   
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 A


(Homo sapiens (Human))		BDBM286506
PNG
(US9566312, Compound 2.3)
Show SMILES CCOC[C@@H](C)[C@@H]1N2CN([C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C2=O)C1=O |r|
Show InChI InChI=1S/C64H113N11O13/c1-25-28-29-40(14)53(76)52-56(79)67-45(26-2)59(82)68(19)44(18)58(81)75-34-74(64(87)51(75)41(15)33-88-27-3)50(39(12)13)63(86)69(20)46(30-35(4)5)55(78)65-42(16)54(77)66-43(17)57(80)70(21)47(31-36(6)7)60(83)71(22)48(32-37(8)9)61(84)72(23)49(38(10)11)62(85)73(52)24/h25,28,35-53,76H,26-27,29-34H2,1-24H3,(H,65,78)(H,66,77)(H,67,79)/b28-25+/t40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 12.7n/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