BDBM50516558 CHEMBL4528850::US10899738, Cpd. No 115

SMILES: N#Cc1ccc(cc1)N1CCCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1

InChI Key: InChIKey=DRMSIRORFBINAW-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 = 50516558   

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))	BDBM50516558 (CHEMBL4528850 | US10899738, Cpd. No 115) Show SMILES N#Cc1ccc(cc1)N1CCCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H42N4/c33-22-25-11-13-30(14-12-25)36-19-5-6-26(24-36)23-35-20-16-29(17-21-35)32(28-8-2-3-9-28)31-10-4-1-7-27(31)15-18-34-32/h1,4,7,10-14,26,28-29,34H,2-3,5-6,8-9,15-21,23-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.13E+3	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))	BDBM50516558 (CHEMBL4528850 | US10899738, Cpd. No 115) Show SMILES N#Cc1ccc(cc1)N1CCCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H42N4/c33-22-25-11-13-30(14-12-25)36-19-5-6-26(24-36)23-35-20-16-29(17-21-35)32(28-8-2-3-9-28)31-10-4-1-7-27(31)15-18-34-32/h1,4,7,10-14,26,28-29,34H,2-3,5-6,8-9,15-21,23-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	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))	BDBM50516558 (CHEMBL4528850 | US10899738, Cpd. No 115) Show SMILES N#Cc1ccc(cc1)N1CCCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H42N4/c33-22-25-11-13-30(14-12-25)36-19-5-6-26(24-36)23-35-20-16-29(17-21-35)32(28-8-2-3-9-28)31-10-4-1-7-27(31)15-18-34-32/h1,4,7,10-14,26,28-29,34H,2-3,5-6,8-9,15-21,23-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	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