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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 = 'BDBM50284190'   
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))		BDBM50284190
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)OCc1cccs1 |c:3|
Show InChI InChI=1S/C47H71NO12S/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,60-43)44(52)45(53)48-17-11-10-14-35(48)46(54)59-42(31(6)37(50)25-38(33)51)29(4)22-32-15-16-36(49)39(24-32)58-26-34-13-12-18-61-34/h12-13,18,20,22,28,30-33,35-37,39-43,49-50,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1
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Similars
Article
n/an/an/an/a 10n/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