BDBM50511906 CHEMBL4435830

SMILES: [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1

InChI Key: InChIKey=PJMFCNODKBGQNV-HDDNKGPMSA-N

Data: 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 = 50511906   

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/Histone-lysine N-methyltransferase MLL (Homo sapiens (Human))	BDBM50511906 (CHEMBL4435830 | US11045448, Cpd. No. 57) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of fluorescent probe binding to Menin (2 to 610 residues containing deletion from 460-519) (unknown origin) after 60 mins by fluorescence ...				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021
					More data for this Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL (Homo sapiens (Human))	BDBM50511906 (CHEMBL4435830 | US11045448, Cpd. No. 57) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL (Homo sapiens (Human))	BDBM50511906 (CHEMBL4435830 | US11045448, Cpd. No. 57) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of menin (unknown origin) by fluorescence polarization assay				J Med Chem 63: 4997-5010 (2020) Article DOI: 10.1021/acs.jmedchem.0c00547
					More data for this Ligand-Target Pair