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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50516581'   
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
Menin


(Homo sapiens (Human))
BDBM50516581
PNG
(CHEMBL4458829)
Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C31H37N5O2/c1-34-30(37)38-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay


J Med Chem 62: 6015-6034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM50516581
PNG
(CHEMBL4458829)
Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C31H37N5O2/c1-34-30(37)38-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay


J Med Chem 62: 6015-6034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00021
BindingDB Entry DOI: 10.7270/Q2P84G8G
More data for this
Ligand-Target Pair