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Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50071451'   
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))		BDBM50071451
PNG
(Ascomycin derivative | C32-O-cinnamyl ether analog...)
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](OC\C=C\c2ccc(O)cc2)[C@@H](C1)OC |c:3|
Show InChI InChI=1S/C52H77NO13/c1-10-38-25-31(2)24-32(3)26-45(62-8)48-46(63-9)28-34(5)52(60,66-48)49(57)50(58)53-22-12-11-15-40(53)51(59)65-47(35(6)41(55)30-42(38)56)33(4)27-37-18-21-43(44(29-37)61-7)64-23-13-14-36-16-19-39(54)20-17-36/h13-14,16-17,19-20,25,27,32,34-35,37-38,40-41,43-48,54-55,60H,10-12,15,18,21-24,26,28-30H2,1-9H3/b14-13+,31-25+,33-27+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
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Similars
Article
n/an/an/an/a 21n/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 4: 921-926 (1994)


Article DOI: 10.1016/S0960-894X(01)80264-X
BindingDB Entry DOI: 10.7270/Q2HD7VMG
More data for this
Ligand-Target Pair