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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50511904'   
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))		BDBM50511904
PNG
(CHEMBL4438797)
Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](CN1CCC1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C45H63FN6O5S/c1-57-44(54)47-42-12-6-11-41(42)45(33-50-23-8-24-50,36-9-5-10-37(46)27-36)35-18-25-49(26-19-35)28-34-29-51(30-34)38-14-16-39(17-15-38)58(55,56)40-31-52(32-40)43(53)13-7-22-48-20-3-2-4-21-48/h5,7,9-10,13-17,27,34-35,40-42H,2-4,6,8,11-12,18-26,28-33H2,1H3,(H,47,54)/b13-7+/t41-,42-,45-/m0/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescent labeled tracer binding to Menin (unknown origin) after 1 hr by fluorescence polarization competitive binding assay

J Med Chem 63: 4997-5010 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00547
BindingDB Entry DOI: 10.7270/Q2QR51G9
More data for this
Ligand-Target Pair