Found 5 hits of kd data for polymerid = 9633 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)) | BDBM50396022
(CHEMBL2169920)Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 Show InChI InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37) | PDB
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MCE
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UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human full-length SMYD2 (1 to 433) by ITC analysis |
J Med Chem 58: 1596-629 (2015)
Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50396022
(CHEMBL2169920)Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 Show InChI InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37) | PDB
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| PDB
Article
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| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00325
BindingDB Entry DOI: 10.7270/Q2M330R7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50181512
(CHEMBL3819277 | US10023539, Example WO 2006/07235...)Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C22H21ClF2N6O3/c1-2-30(19(33)12-32)18-11-31(29-20(18)14-6-8-15(23)9-7-14)22(27-13-26)28-16-4-3-5-17(10-16)34-21(24)25/h3-10,18,21,32H,2,11-12H2,1H3,(H,27,28) | PDB
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Similars
| Article
PubMed
| n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description
Binding affinity to SMYD2 (unknown origin) by isothermal colorimetric analysis |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50550489
(CHEMBL4784798)Show SMILES Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1 | PDB
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| n/a | n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to SMYD2 (unknown origin) by ITC assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BG2SKF |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50396022
(CHEMBL2169920)Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 Show InChI InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37) | PDB
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MCE
MMDB
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113213
BindingDB Entry DOI: 10.7270/Q26Q2260 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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