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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 = 'BDBM286623'   
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))		BDBM286623
PNG
(US9566312, Compound 3.3)
Show SMILES CC[C@@H]1NC(=O)C([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)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C65H117N11O13/c1-27-29-30-41(15)54(77)53-58(81)68-45(28-2)60(83)73(22)50(39(11)12)64(87)75(24)52(42(16)34-89-26)57(80)69-49(38(9)10)63(86)70(19)46(31-35(3)4)56(79)66-43(17)55(78)67-44(18)59(82)71(20)47(32-36(5)6)61(84)72(21)48(33-37(7)8)62(85)74(23)51(40(13)14)65(88)76(53)25/h27,29,35-54,77H,28,30-34H2,1-26H3,(H,66,79)(H,67,78)(H,68,81)(H,69,80)/b29-27+/t41-,42-,43+,44-,45+,46+,47+,48+,49+,50-,51+,52+,53?,54-/m1/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/an/a 13.7n/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