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Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM257524'   
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))		BDBM257524
PNG
(US9505773, 19)
Show SMILES C[C@H](C[C@H]1CC[C@H](O)CC1)[C@@H]1C\C=C(C)\[C@@H](O)CC(=O)[C@@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](O)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1 |r,wU:52.54,40.41,38.39,6.6,20.21,15.16,wD:35.43,23.24,3.2,1.0,10.58,32.33,c:13,30,t:26,28,(-4.82,-16.51,;-3.33,-16.91,;-3.33,-15.37,;-2,-14.6,;-.67,-15.37,;.67,-14.6,;.67,-13.06,;2,-12.29,;-.67,-12.29,;-2,-13.06,;-2,-17.68,;-.67,-16.91,;6,-17.68,;6,-19.22,;4.67,-19.99,;7.34,-19.99,;8.67,-19.22,;7.34,-21.53,;8.67,-22.3,;10,-21.53,;8.67,-23.84,;7.18,-24.24,;8.05,-26.15,;6,-26.92,;6,-28.46,;4.67,-26.15,;3.33,-26.92,;2,-26.15,;.67,-26.92,;-.67,-26.15,;-2,-26.92,;-2,-28.46,;-3.33,-26.15,;-3.33,-24.61,;-4.67,-26.92,;-6,-26.15,;-7.34,-26.92,;-8.67,-26.15,;-8.67,-24.61,;-10,-23.84,;-7.34,-23.84,;-8.67,-23.07,;-6,-24.61,;-7.34,-22.3,;-8.67,-21.53,;-6,-21.53,;-4.67,-22.3,;-6,-19.99,;-7.34,-19.22,;-7.34,-17.68,;-6,-16.91,;-4.67,-17.68,;-4.67,-19.22,;-3.33,-19.99,;-3.33,-21.53,;-2,-19.22,)|
Show InChI InChI=1S/C45H69NO10/c1-28-12-8-7-9-13-29(2)38(48)26-36-21-16-33(6)45(54,56-36)42(51)43(52)46-23-11-10-14-37(46)44(53)55-41(32(5)25-34-17-19-35(47)20-18-34)22-15-30(3)39(49)27-40(50)31(4)24-28/h7-9,12-13,15,28,31-39,41,47-49,54H,10-11,14,16-27H2,1-6H3/b9-7+,12-8+,29-13+,30-15+/t28-,31+,32-,33-,34-,35-,36+,37+,38+,39+,41+,45-/m1/s1
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US Patent
 7.70n/an/an/an/an/an/an/an/a



Isomerase Therapeutics Ltd.

US Patent


Assay Description
The assay was conducted at 10° C. in 50 mM Tris buffer at pH8.0, 50 μM DTT, 100 mM NaCl, 0.005% NP40 with 6 nM FKBP12 and 60 μM substrate (...

US Patent US9505773 (2016)


BindingDB Entry DOI: 10.7270/Q2P849TK
More data for this
Ligand-Target Pair