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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 = 'BDBM50284185'   
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))		BDBM50284185
PNG
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(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](C1)OC(C)C |c:3|
Show InChI InChI=1S/C45H73NO12/c1-11-32-19-26(4)18-27(5)20-38(54-9)41-39(55-10)22-29(7)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40(30(8)35(48)24-36(32)49)28(6)21-31-15-16-34(47)37(23-31)56-25(2)3/h19,21,25,27,29-35,37-41,47-48,53H,11-18,20,22-24H2,1-10H3/b26-19+,28-21+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1
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Similars
Article
n/an/an/an/a 3.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to bind the major cystolic receptor FKBP12 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