Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Menin' and Ligand = 'BDBM50516572'   

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))	BDBM50516572 (CHEMBL4532417 | US10899738, Cpd. No 52) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O3S/c43-46(44,36-13-17-39-18-14-36)35-11-9-34(10-12-35)42-23-29(24-42)21-40-19-15-33(16-20-40)38(32-6-2-3-7-32)28-41(22-30-26-45-27-30)25-31-5-1-4-8-37(31)38/h1,4-5,8-14,17-18,29-30,32-33H,2-3,6-7,15-16,19-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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))	BDBM50516572 (CHEMBL4532417 | US10899738, Cpd. No 52) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O3S/c43-46(44,36-13-17-39-18-14-36)35-11-9-34(10-12-35)42-23-29(24-42)21-40-19-15-33(16-20-40)38(32-6-2-3-7-32)28-41(22-30-26-45-27-30)25-31-5-1-4-8-37(31)38/h1,4-5,8-14,17-18,29-30,32-33H,2-3,6-7,15-16,19-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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))	BDBM50516572 (CHEMBL4532417 | US10899738, Cpd. No 52) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O3S/c43-46(44,36-13-17-39-18-14-36)35-11-9-34(10-12-35)42-23-29(24-42)21-40-19-15-33(16-20-40)38(32-6-2-3-7-32)28-41(22-30-26-45-27-30)25-31-5-1-4-8-37(31)38/h1,4-5,8-14,17-18,29-30,32-33H,2-3,6-7,15-16,19-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	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