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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 FKBP1A' and Ligand = 'BDBM50403374'   
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 FKBP1A


(Homo sapiens (Human))
BDBM50403374
PNG
(CHEMBL2062149 | L-683742)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@H](O)C1 |c:3|
Show InChI InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-35(52-7)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37+,38+,42+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay


Bioorg Med Chem Lett 4: 927-930 (1994)


Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP
More data for this
Ligand-Target Pair