BDBM50519302 CHEMBL4553357

SMILES: Cc1nc(N)c2ncn(c2n1)C1(C)CN(C1)C(=O)c1cc(CN2CCN(CC2)C2CCCCCC2)n(C)n1

InChI Key: InChIKey=FTKQUUUDTGVWAB-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 = 50519302   

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))	BDBM50519302 (CHEMBL4553357) Show SMILES Cc1nc(N)c2ncn(c2n1)C1(C)CN(C1)C(=O)c1cc(CN2CCN(CC2)C2CCCCCC2)n(C)n1 Show InChI InChI=1S/C27H40N10O/c1-19-30-24(28)23-25(31-19)37(18-29-23)27(2)16-36(17-27)26(38)22-14-21(33(3)32-22)15-34-10-12-35(13-11-34)20-8-6-4-5-7-9-20/h14,18,20H,4-13,15-17H2,1-3H3,(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))	BDBM50519302 (CHEMBL4553357) Show SMILES Cc1nc(N)c2ncn(c2n1)C1(C)CN(C1)C(=O)c1cc(CN2CCN(CC2)C2CCCCCC2)n(C)n1 Show InChI InChI=1S/C27H40N10O/c1-19-30-24(28)23-25(31-19)37(18-29-23)27(2)16-36(17-27)26(38)22-14-21(33(3)32-22)15-34-10-12-35(13-11-34)20-8-6-4-5-7-9-20/h14,18,20H,4-13,15-17H2,1-3H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	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