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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 = 'BDBM50068601'   
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))		BDBM50068601
PNG
(CHEMBL265972 | WAY-124466)
Show SMILES CO[C@@H]1C[C@H](CC(C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C3C=CC(\C=C(C)\[C@H](C[C@H]4O[C@](O)([C@H](C)C[C@@H]4OC)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)n2n3c(=O)n(-c3ccccc3)c2=O)CC[C@H]1O |c:14,30,33|
Show InChI InChI=1S/C60H86N4O16/c1-33-25-37(5)52(67)54(78-11)53(68)38(6)26-34(2)46(66)31-48(35(3)27-40-20-23-45(65)49(30-40)76-9)79-57(71)44-19-15-16-24-61(44)56(70)55(69)60(74)39(7)29-50(77-10)51(80-60)32-47(75-8)36(4)28-42-21-22-43(33)64-59(73)62(58(72)63(42)64)41-17-13-12-14-18-41/h12-14,17-18,21-22,26,28,33-35,37,39-40,42-45,47-51,53-54,65,68,74H,15-16,19-20,23-25,27,29-32H2,1-11H3/b36-28+,38-26+/t33-,34+,35?,37+,39+,40-,42?,43?,44-,45+,47-,48-,49+,50-,51+,53-,54-,60+/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
 12n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity

J Med Chem 41: 5119-43 (1999)


Article DOI: 10.1021/jm980307x
BindingDB Entry DOI: 10.7270/Q22B8ZP8
More data for this
Ligand-Target Pair