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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 = 'BDBM285723'   
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))
BDBM285723
PNG
(US10077289, Compound 31 | [(2S,3R,4R)-3-Hydroxy-4-...)
Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2cccnc2)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
Show InChI InChI=1S/C66H114N12O12/c1-24-47-62(86)72(17)36-52(79)73(18)48(31-37(2)3)59(83)71-53(41(10)11)65(89)74(19)49(32-38(4)5)58(82)68-44(15)57(81)69-45(16)61(85)75(20)50(33-39(6)7)63(87)76(21)51(34-40(8)9)64(88)77(22)54(42(12)13)66(90)78(23)55(60(84)70-47)56(80)43(14)27-25-28-46-29-26-30-67-35-46/h26,29-30,35,37-45,47-51,53-56,80H,24-25,27-28,31-34,36H2,1-23H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/t43-,44?,45?,47?,48+,49?,50?,51?,53?,54?,55-,56-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
9.5n/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)

More data for this
Ligand-Target Pair