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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 B' and Ligand = 'BDBM286526'   
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 B


(Homo sapiens (Human))		BDBM286526
PNG
(US9566312, Compound 2.5.7)
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)N2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C67H118N12O15/c1-25-27-28-42(13)55(80)54-59(84)70-47(26-2)62(87)72(18)46(17)61(86)77(23)53(43(14)36-94-67(92)79-29-31-93-32-30-79)58(83)71-51(40(9)10)65(90)73(19)48(33-37(3)4)57(82)68-44(15)56(81)69-45(16)60(85)74(20)49(34-38(5)6)63(88)75(21)50(35-39(7)8)64(89)76(22)52(41(11)12)66(91)78(54)24/h25,27,37-55,80H,26,28-36H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1
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MMDB

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PC cid
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US Patent
n/an/an/a 1.30n/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