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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 = 'BDBM285727'   
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))		BDBM285727
PNG
(US10077289, Compound 35 | [2S,3R,4R)-3-Hydroxy-4-m...)
Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ccccn2)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)[C@@H](SC)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C67H116N12O12S/c1-25-47-61(86)79(23)67(92-24)66(91)74(18)49(34-38(4)5)58(83)72-52(41(10)11)64(89)73(17)48(33-37(2)3)57(82)69-44(15)56(81)70-45(16)60(85)75(19)50(35-39(6)7)62(87)76(20)51(36-40(8)9)63(88)77(21)53(42(12)13)65(90)78(22)54(59(84)71-47)55(80)43(14)29-28-31-46-30-26-27-32-68-46/h26-27,30,32,37-45,47-55,67,80H,25,28-29,31,33-36H2,1-24H3,(H,69,82)(H,70,81)(H,71,84)(H,72,83)/t43-,44?,45?,47?,48?,49+,50?,51?,52?,53?,54-,55-,67-/m1/s1
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US Patent
 4.40n/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