Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SMYD3' and Ligand = 'BDBM50509613' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone-lysine N-methyltransferase SMYD3
(Homo sapiens (Human)) | BDBM50509613
![PNG](/data/jpeg/tenK5050/BindingDB_50509613.png) (CHEMBL4559031)Show SMILES Clc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,wU:7.6,wD:10.10,(47.16,-8.85,;47.17,-7.32,;45.85,-6.53,;45.87,-5,;47.2,-4.26,;47.22,-2.73,;45.9,-1.95,;44.56,-2.7,;44.54,-4.24,;43.21,-5.01,;41.88,-4.22,;40.54,-4.99,;39.2,-4.2,;38.43,-2.87,;39.97,-2.86,;37.87,-4.98,;36.53,-4.2,;35.21,-4.98,;35.21,-6.52,;36.53,-7.28,;37.87,-6.52,;33.88,-7.29,;32.54,-6.52,;32.54,-4.98,;31.21,-7.29,;31.05,-8.83,;29.55,-9.15,;28.77,-7.82,;29.8,-6.67,;28.93,-10.56,;27.68,-11.47,;29.09,-12.09,;41.88,-2.68,;43.22,-1.93,;48.52,-5.02,;48.51,-6.55,)| Show InChI InChI=1S/C26H35ClN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32)/t19-,22- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal FLAG/His-tagged SMYD3 (unknown origin) expressed in baculovirus infected insect cells using 3H-SAM as substrate ... |
ACS Med Chem Lett 11: 133-140 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00493 BindingDB Entry DOI: 10.7270/Q2W66Q2M |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase SMYD3
(Homo sapiens (Human)) | BDBM50509613
![PNG](/data/jpeg/tenK5050/BindingDB_50509613.png) (CHEMBL4559031)Show SMILES Clc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1 |r,wU:7.6,wD:10.10,(47.16,-8.85,;47.17,-7.32,;45.85,-6.53,;45.87,-5,;47.2,-4.26,;47.22,-2.73,;45.9,-1.95,;44.56,-2.7,;44.54,-4.24,;43.21,-5.01,;41.88,-4.22,;40.54,-4.99,;39.2,-4.2,;38.43,-2.87,;39.97,-2.86,;37.87,-4.98,;36.53,-4.2,;35.21,-4.98,;35.21,-6.52,;36.53,-7.28,;37.87,-6.52,;33.88,-7.29,;32.54,-6.52,;32.54,-4.98,;31.21,-7.29,;31.05,-8.83,;29.55,-9.15,;28.77,-7.82,;29.8,-6.67,;28.93,-10.56,;27.68,-11.47,;29.09,-12.09,;41.88,-2.68,;43.22,-1.93,;48.52,-5.02,;48.51,-6.55,)| Show InChI InChI=1S/C26H35ClN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32)/t19-,22- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant SMYD3 (unknown origin) transfected in human HEK293 cells assessed as reduction in MEKK2 methylation incubated for 24 hrs by... |
ACS Med Chem Lett 11: 133-140 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00493 BindingDB Entry DOI: 10.7270/Q2W66Q2M |
More data for this Ligand-Target Pair | |