BDBM50519299 CHEMBL4536230

SMILES: Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCC=C4)c3)c2n1

InChI Key: InChIKey=CDVHOZBZQJJOFX-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 = 50519299   

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))	BDBM50519299 (CHEMBL4536230) Show SMILES Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCC=C4)c3)c2n1 |c:33| Show InChI InChI=1S/C27H36N8O/c1-19-30-25(28)24-26(31-19)35(18-29-24)23-16-34(17-23)27(36)21-10-11-32(15-21)14-20-8-12-33(13-9-20)22-6-4-2-3-5-7-22/h4,6,10-11,15,18,20,22-23H,2-3,5,7-9,12-14,16-17H2,1H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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))	BDBM50519299 (CHEMBL4536230) Show SMILES Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCC=C4)c3)c2n1 |c:33| Show InChI InChI=1S/C27H36N8O/c1-19-30-25(28)24-26(31-19)35(18-29-24)23-16-34(17-23)27(36)21-10-11-32(15-21)14-20-8-12-33(13-9-20)22-6-4-2-3-5-7-22/h4,6,10-11,15,18,20,22-23H,2-3,5,7-9,12-14,16-17H2,1H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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