BDBM50516549 CHEMBL4470192::US10899738, Cpd. No 135

SMILES: O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1

InChI Key: InChIKey=MFGCAUCKIOPOOH-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 = 50516549   

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))	BDBM50516549 (CHEMBL4470192 | US10899738, Cpd. No 135) Show SMILES O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H43N3O2S/c36-38(37,30-13-14-30)29-11-9-28(10-12-29)35-22-24(23-35)21-34-19-16-27(17-20-34)32(26-6-2-3-7-26)31-8-4-1-5-25(31)15-18-33-32/h1,4-5,8-12,24,26-27,30,33H,2-3,6-7,13-23H2	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
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516549 (CHEMBL4470192 | US10899738, Cpd. No 135) Show SMILES O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H43N3O2S/c36-38(37,30-13-14-30)29-11-9-28(10-12-29)35-22-24(23-35)21-34-19-16-27(17-20-34)32(26-6-2-3-7-26)31-8-4-1-5-25(31)15-18-33-32/h1,4-5,8-12,24,26-27,30,33H,2-3,6-7,13-23H2	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)
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516549 (CHEMBL4470192 | US10899738, Cpd. No 135) Show SMILES O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H43N3O2S/c36-38(37,30-13-14-30)29-11-9-28(10-12-29)35-22-24(23-35)21-34-19-16-27(17-20-34)32(26-6-2-3-7-26)31-8-4-1-5-25(31)15-18-33-32/h1,4-5,8-12,24,26-27,30,33H,2-3,6-7,13-23H2	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
					More data for this Ligand-Target Pair