BDBM50519303 CHEMBL4590955

SMILES: Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CC4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1

InChI Key: InChIKey=QIJVISXVDBWWRZ-UHFFFAOYSA-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 2 hits for monomerid = 50519303   

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
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519303 (CHEMBL4590955) Show SMILES Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CC4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1 Show InChI InChI=1S/C27H39N9O/c1-18-30-25(28)24-26(31-18)36(17-29-24)22-15-35(16-22)27(37)23-14-21(33(2)32-23)13-19-9-11-34(12-10-19)20-7-5-3-4-6-8-20/h14,17,19-20,22H,3-13,15-16H2,1-2H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519303 (CHEMBL4590955) Show SMILES Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CC4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1 Show InChI InChI=1S/C27H39N9O/c1-18-30-25(28)24-26(31-18)36(17-29-24)22-15-35(16-22)27(37)23-14-21(33(2)32-23)13-19-9-11-34(12-10-19)20-7-5-3-4-6-8-20/h14,17,19-20,22H,3-13,15-16H2,1-2H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112
					More data for this Ligand-Target Pair