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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 = 'BDBM285724'   
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))		BDBM285724
PNG
(US10077289, Compound 32 | [(2S,3R,4R)-3-Hydroxy-4-...)
Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ncccn2)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](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C65H113N13O12/c1-24-45-61(86)72(17)35-51(79)73(18)46(31-36(2)3)58(83)71-52(40(10)11)64(89)74(19)47(32-37(4)5)57(82)68-43(15)56(81)69-44(16)60(85)75(20)48(33-38(6)7)62(87)76(21)49(34-39(8)9)63(88)77(22)53(41(12)13)65(90)78(23)54(59(84)70-45)55(80)42(14)27-25-28-50-66-29-26-30-67-50/h26,29-30,36-49,52-55,80H,24-25,27-28,31-35H2,1-23H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/t42-,43?,44?,45?,46+,47?,48?,49?,52?,53?,54-,55-/m1/s1
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US Patent
 8.30n/an/an/an/an/an/a7.8n/a



Allergan, Inc.

US Patent


Assay Description
The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of...

US Patent US10077289 (2018)


BindingDB Entry DOI: 10.7270/Q25B04JF
More data for this
Ligand-Target Pair