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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 = 'BDBM285694'   
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))
BDBM285694
PNG
(US10077289, Compound 3 | [(2S,3R,4R)-3-Hydroxy-4-m...)
Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCN2CCCC2)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](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H122N14O12/c1-25-49-65(91)75(18)48(17)64(90)76(19)51(35-40(4)5)61(87)74-55(43(10)11)68(94)77(20)50(34-39(2)3)60(86)71-46(15)59(85)72-47(16)63(89)78(21)52(36-41(6)7)66(92)79(22)53(37-42(8)9)67(93)80(23)56(44(12)13)69(95)81(24)57(62(88)73-49)58(84)45(14)38-54-70-28-31-83(54)33-32-82-29-26-27-30-82/h28,31,39-53,55-58,84H,25-27,29-30,32-38H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/t45-,46?,47?,48-,49?,50?,51+,52?,53?,55?,56?,57-,58-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.60n/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