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BDBM50318546 Ac-ARAEV-NH2::CHEMBL1086531

SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O

InChI Key: InChIKey=CIWFPIIPIHNZNZ-XRDYDQJJSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318546   
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
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318546
PNG
(Ac-ARAEV-NH2 | CHEMBL1086531)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C24H43N9O8/c1-11(2)18(19(25)37)33-23(41)16(8-9-17(35)36)32-21(39)13(4)30-22(40)15(7-6-10-28-24(26)27)31-20(38)12(3)29-14(5)34/h11-13,15-16,18H,6-10H2,1-5H3,(H2,25,37)(H,29,34)(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,35,36)(H4,26,27,28)/t12-,13-,15-,16-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318546
PNG
(Ac-ARAEV-NH2 | CHEMBL1086531)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C24H43N9O8/c1-11(2)18(19(25)37)33-23(41)16(8-9-17(35)36)32-21(39)13(4)30-22(40)15(7-6-10-28-24(26)27)31-20(38)12(3)29-14(5)34/h11-13,15-16,18H,6-10H2,1-5H3,(H2,25,37)(H,29,34)(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,35,36)(H4,26,27,28)/t12-,13-,15-,16-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair