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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'FK506-binding protein 1B' and Ligand = 'BDBM50029194'   
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
FK506-binding protein 1B


(Homo sapiens (Human))
BDBM50029194
PNG
(15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C68H115N11O12/c1-24-26-30-45(15)58(81)57-62(85)70-48(25-2)64(87)73(17)38-54(80)74(18)50(33-39(3)4)61(84)72-55(43(11)12)67(90)75(19)51(34-40(5)6)60(83)71-49(37-47-31-28-27-29-32-47)59(82)69-46(16)63(86)76(20)52(35-41(7)8)65(88)77(21)53(36-42(9)10)66(89)78(22)56(44(13)14)68(91)79(57)23/h24,26-29,31-32,39-46,48-53,55-58,81H,25,30,33-38H2,1-23H3,(H,69,82)(H,70,85)(H,71,83)(H,72,84)/b26-24+/t45?,46-,48+,49-,50+,51-,52-,53+,55+,56-,57+,58-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).


J Med Chem 38: 4164-70 (1995)


Article DOI: 10.1021/jm00021a005
BindingDB Entry DOI: 10.7270/Q2X34WGK
More data for this
Ligand-Target Pair