BDBM50180955 CHEMBL3818617
SMILES: CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
InChI Key: InChIKey=OTTJIRVZJJGFTK-SFHVURJKSA-N
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)) | BDBM50180955 (CHEMBL3818617) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG Curated by ChEMBL | Assay Description Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK... | J Med Chem 59: 4578-600 (2016) BindingDB Entry DOI: 10.7270/Q2RN39S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-lysine methyltransferase SMYD2 (Homo sapiens (Human)) | BDBM50180955 (CHEMBL3818617) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG Curated by ChEMBL | Assay Description Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK... | J Med Chem 59: 4578-600 (2016) BindingDB Entry DOI: 10.7270/Q2RN39S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-lysine methyltransferase SMYD2 (Homo sapiens (Human)) | BDBM50180955 (CHEMBL3818617) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG Curated by ChEMBL | Assay Description Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft... | J Med Chem 59: 4578-600 (2016) BindingDB Entry DOI: 10.7270/Q2RN39S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SET and MYND domain-containing protein 2 (SMYD2) (Homo sapiens (Human)) | BDBM50180955 (CHEMBL3818617) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG Curated by ChEMBL | Assay Description Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ... | J Med Chem 59: 4578-600 (2016) BindingDB Entry DOI: 10.7270/Q2RN39S5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50180955 (CHEMBL3818617) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG Curated by ChEMBL | Assay Description Antagonist activity at PAR1 (unknown origin) | J Med Chem 59: 4578-600 (2016) BindingDB Entry DOI: 10.7270/Q2RN39S5 | |||||||||||
More data for this Ligand-Target Pair |