Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50516562'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Menin (Homo sapiens (Human))	BDBM50516562 (CHEMBL4467100 | US10899738, Cpd. No 134) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H45N3O2S/c1-24(2)38(36,37)30-13-11-29(12-14-30)35-22-25(23-35)21-34-19-16-28(17-20-34)32(27-8-4-5-9-27)31-10-6-3-7-26(31)15-18-33-32/h3,6-7,10-14,24-25,27-28,33H,4-5,8-9,15-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50516562 (CHEMBL4467100 | US10899738, Cpd. No 134) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H45N3O2S/c1-24(2)38(36,37)30-13-11-29(12-14-30)35-22-25(23-35)21-34-19-16-28(17-20-34)32(27-8-4-5-9-27)31-10-6-3-7-26(31)15-18-33-32/h3,6-7,10-14,24-25,27-28,33H,4-5,8-9,15-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50516562 (CHEMBL4467100 | US10899738, Cpd. No 134) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H45N3O2S/c1-24(2)38(36,37)30-13-11-29(12-14-30)35-22-25(23-35)21-34-19-16-28(17-20-34)32(27-8-4-5-9-27)31-10-6-3-7-26(31)15-18-33-32/h3,6-7,10-14,24-25,27-28,33H,4-5,8-9,15-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...				US Patent US10899738 (2021) BindingDB Entry DOI: 10.7270/Q28K7D5T
					More data for this Ligand-Target Pair