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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50516580'   
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))
BDBM50516580
PNG
(CHEMBL4453547)
Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)CCC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C33H40N4O2/c1-2-7-32(38)39-31-11-6-10-30(31)33(24-35,27-8-4-3-5-9-27)28-16-18-36(19-17-28)21-26-22-37(23-26)29-14-12-25(20-34)13-15-29/h3-5,8-9,12-15,26,28,30-31H,2,6-7,10-11,16-19,21-23H2,1H3/t30-,31-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
350n/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))
BDBM50516580
PNG
(CHEMBL4453547)
Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)CCC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C33H40N4O2/c1-2-7-32(38)39-31-11-6-10-30(31)33(24-35,27-8-4-3-5-9-27)28-16-18-36(19-17-28)21-26-22-37(23-26)29-14-12-25(20-34)13-15-29/h3-5,8-9,12-15,26,28,30-31H,2,6-7,10-11,16-19,21-23H2,1H3/t30-,31-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/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