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BDBM50029191 15-Benzyl-30-ethyl-12-hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,19,25,27,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CHEMBL216520

SMILES: CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)N[C@@H](O)[C@@H](CC(C)C)N(C)C(=O)C(N[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)CN(C)[C@@H]1O)C(C)C

InChI Key: InChIKey=RAPARJSMMZVCBG-ZEMLUYHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
FK506-binding protein 1B


(Homo sapiens)
BDBM50029191
PNG
(15-Benzyl-30-ethyl-12-hydroxymethyl-33-(1-hydroxy-...)
Show SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)N[C@@H](O)[C@@H](CC(C)C)N(C)C(=O)C(N[C@@H](O)[C@H](CC(C)C)N(C)[C@@H](O)CN(C)[C@@H]1O)C(C)C
Show InChI InChI=1S/C62H123N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-52,54-55,58-60,63,66,74-75,77-78,81-83H,26,28-33H2,1-24H3,(H,64,76)(H,65,79)/b27-25+/t40?,41-,42+,43?,44-,45+,46-,47-,48-,49?,50+,51?,52?,54-,55-,58+,59-,60-/m0/s1
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MMDB

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Similars

Article
PubMed
3n/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