Found 71 hits of ic50 data for polymerid = 9642 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 |
|---|
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582891
(CHEMBL5078908)Show SMILES CN(C)C1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594410
(CHEMBL5178972)Show SMILES [H][C@]12CCN(C(C)=O)[C@@]1([H])CCN2[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582889
(CHEMBL5073608)Show SMILES CN(C1CCN(C1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582892
(CHEMBL5093241)Show SMILES CN(C)C1CCN(CC1)c1cc(Cl)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582885
(CHEMBL5091591)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582885
(CHEMBL5091591)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594410
(CHEMBL5178972)Show SMILES [H][C@]12CCN(C(C)=O)[C@@]1([H])CCN2[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594408
(CHEMBL5195440)Show SMILES [H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594409
(CHEMBL5206271)Show SMILES [H][C@@]12CCN(C(C)=O)[C@]1([H])CN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582878
(CHEMBL5082544)Show SMILES CC.CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594403
(CHEMBL5189290)Show SMILES CC(=O)N1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582883
(CHEMBL5082960)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)c1ccncc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582890
(CHEMBL5094380)Show SMILES CN(C1CCN(C1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594409
(CHEMBL5206271)Show SMILES [H][C@@]12CCN(C(C)=O)[C@]1([H])CN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594408
(CHEMBL5195440)Show SMILES [H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582880
(CHEMBL5071957)Show SMILES CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582893
(CHEMBL5072597)Show SMILES CN(C)C1CCN(CC1)c1cc(C)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582894
(CHEMBL5076615)Show SMILES CN(C)C1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594406
(EZM-0414 | EZM0414 | Ezm-0414)Show SMILES CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582885
(CHEMBL5091591)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582885
(CHEMBL5091591)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582879
(CHEMBL5088515)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r| | PDB
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594402
(CHEMBL5184871)Show SMILES CC(=O)N1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582889
(CHEMBL5073608)Show SMILES CN(C1CCN(C1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594406
(EZM-0414 | EZM0414 | Ezm-0414)Show SMILES CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594403
(CHEMBL5189290)Show SMILES CC(=O)N1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582881
(CHEMBL5077994)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCN(CC1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582878
(CHEMBL5082544)Show SMILES CC.CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582899
(CHEMBL5091735)Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582880
(CHEMBL5071957)Show SMILES CN([C@@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582890
(CHEMBL5094380)Show SMILES CN(C1CCN(C1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582903
(CHEMBL5071333)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582882
(CHEMBL5080149)Show SMILES CN1CCN(CC1=O)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582879
(CHEMBL5088515)Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50594402
(CHEMBL5184871)Show SMILES CC(=O)N1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00167
BindingDB Entry DOI: 10.7270/Q2HQ43XC |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582884
(CHEMBL5072302)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCOCC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582881
(CHEMBL5077994)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCN(CC1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582891
(CHEMBL5078908)Show SMILES CN(C)C1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582894
(CHEMBL5076615)Show SMILES CN(C)C1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582883
(CHEMBL5082960)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)c1ccncc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582882
(CHEMBL5080149)Show SMILES CN1CCN(CC1=O)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582893
(CHEMBL5072597)Show SMILES CN(C)C1CCN(CC1)c1cc(C)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 379 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582892
(CHEMBL5093241)Show SMILES CN(C)C1CCN(CC1)c1cc(Cl)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582903
(CHEMBL5071333)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582884
(CHEMBL5072302)Show SMILES Cc1ccc(F)c2cc([nH]c12)C(=O)N[C@@H]1CCC[C@@H](C1)N1CCOCC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 449 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582899
(CHEMBL5091735)Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582901
(CHEMBL5085128)Show SMILES Cc1cccnc1C(NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C1CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 674 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50075101
(CHEMBL3414624)Show SMILES CCCN[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human SETD2 (1347 to 1711) using histamine H3 (20 to 50) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substra... |
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) |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50597882
(CHEMBL5187924)Show SMILES CCCN(CC[C@H](N)C(O)=O)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01208
BindingDB Entry DOI: 10.7270/Q25X2DZR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase SETD2
(Homo sapiens (Human)) | BDBM50582887
(CHEMBL5076782)Show SMILES Cc1cccc2cc([nH]c12)C(=O)Nc1cccc(c1)N1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 818 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00272
BindingDB Entry DOI: 10.7270/Q2Z03D29 |
More data for this
Ligand-Target Pair | |
Search and Browse
