BDBM301811 N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((6-methyl-3-neopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)-amino)ethyl)-propanamide::US9598381, 8

SMILES: CC1CNc2c(CC(C)(C)C)c(NCCN(C3CCCCC3)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)nn2C1

InChI Key: InChIKey=JSZJQQUENMOHRB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 301811   

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))	BDBM301811 (N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2...) Show SMILES CC1CNc2c(CC(C)(C)C)c(NCCN(C3CCCCC3)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)nn2C1 Show InChI InChI=1S/C31H48Cl2N6O/c1-22-20-36-30-25(19-31(2,3)4)29(37-39(30)21-22)35-16-17-38(24-8-6-5-7-9-24)28(40)13-15-34-14-12-23-10-11-26(32)27(33)18-23/h10-11,18,22,24,34,36H,5-9,12-17,19-21H2,1-4H3,(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To...				US Patent US9598381 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34QT
					More data for this Ligand-Target Pair