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Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM257519'   
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))		BDBM257519
PNG
(US9505773, 12)
Show SMILES CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(C\C=C(C)\[C@@H](O)CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)Cc1ccc(CO)s1 |r,c:29,t:42,44,46|
Show InChI InChI=1S/C45H65NO10S/c1-28-13-9-8-10-14-30(3)41(54-7)25-34-18-17-33(6)45(53,56-34)42(50)43(51)46-22-12-11-15-37(46)44(52)55-40(32(5)24-35-19-20-36(27-47)57-35)21-16-29(2)38(48)26-39(49)31(4)23-28/h8-10,13-14,16,19-20,28,31-34,37-38,40-41,47-48,53H,11-12,15,17-18,21-27H2,1-7H3/b10-8+,13-9+,29-16+,30-14+/t28-,31-,32-,33-,34+,37+,38+,40?,41+,45-/m1/s1
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US Patent
 9.5n/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