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SMILES: [H][C@]1(CCC[C@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1

InChI Key: InChIKey=VJIXVSWXFJDMJM-JFHPUIQFSA-N

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 = 50516551   
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
Menin


(Homo sapiens (Human))
BDBM50516551
PNG
(CHEMBL4462347)
Show SMILES [H][C@]1(CCC[C@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C31H36N4O2/c1-23(36)37-30-9-5-8-29(30)31(22-33,26-6-3-2-4-7-26)27-14-16-34(17-15-27)19-25-20-35(21-25)28-12-10-24(18-32)11-13-28/h2-4,6-7,10-13,25,27,29-30H,5,8-9,14-17,19-21H2,1H3/t29-,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10E+3n/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
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM50516551
PNG
(CHEMBL4462347)
Show SMILES [H][C@]1(CCC[C@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C31H36N4O2/c1-23(36)37-30-9-5-8-29(30)31(22-33,26-6-3-2-4-7-26)27-14-16-34(17-15-27)19-25-20-35(21-25)28-12-10-24(18-32)11-13-28/h2-4,6-7,10-13,25,27,29-30H,5,8-9,14-17,19-21H2,1H3/t29-,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+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
More data for this
Ligand-Target Pair