BDBM50516554 CHEMBL4522767::US10899738, Cpd. No 49

SMILES: O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1

InChI Key: InChIKey=AZMLEISFRDLXOA-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50516554   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Menin (Homo sapiens (Human))	BDBM50516554 (CHEMBL4522767 | US10899738, Cpd. No 49) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-16-20-39-21-17-36)35-14-12-34(13-15-35)41-25-29(26-41)24-40-22-18-32(19-23-40)38(31-7-2-3-8-31)28-42(33-9-5-10-33)27-30-6-1-4-11-37(30)38/h1,4,6,11-17,20-21,29,31-33H,2-3,5,7-10,18-19,22-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	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
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516554 (CHEMBL4522767 | US10899738, Cpd. No 49) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-16-20-39-21-17-36)35-14-12-34(13-15-35)41-25-29(26-41)24-40-22-18-32(19-23-40)38(31-7-2-3-8-31)28-42(33-9-5-10-33)27-30-6-1-4-11-37(30)38/h1,4,6,11-17,20-21,29,31-33H,2-3,5,7-10,18-19,22-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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)
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516554 (CHEMBL4522767 | US10899738, Cpd. No 49) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-16-20-39-21-17-36)35-14-12-34(13-15-35)41-25-29(26-41)24-40-22-18-32(19-23-40)38(31-7-2-3-8-31)28-42(33-9-5-10-33)27-30-6-1-4-11-37(30)38/h1,4,6,11-17,20-21,29,31-33H,2-3,5,7-10,18-19,22-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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
					More data for this Ligand-Target Pair