Found 462 hits Enz. Inhib. hit(s) with Target = 'Huntingtin' 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 |
|---|
Huntingtin
(Homo sapiens (Human)) | BDBM50578375
(CHEMBL4875017)Show SMILES Cn1cc2cc(cc(F)c2n1)-c1ccc(c(O)c1)-c1cnc(nn1)N1CCNC(CO)C1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50578380
(CHEMBL4878942)Show SMILES Cn1nc2cc(cnc2n1)-c1ccc(c(O)c1)-c1cnc(nn1)N1CCN[C@H](C1)C1CC1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50578376
(CHEMBL4863336)Show SMILES Oc1cc(ccc1-c1cnc(nn1)N1CCN[C@H](C1)C1CC1)-c1c[nH]nc1F |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50578377
(CHEMBL4847156)Show SMILES CC1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cc(F)c2nn(C)cc2c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50578378
(CHEMBL4867927)Show SMILES CCC1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cc(F)c2nc(C)cn2c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50578379
(CHEMBL4859053)Show SMILES CC(C)[C@H]1CN(CCN1)c1ncc(nn1)-c1ccc(cc1O)-c1cn2cc(C)nc2cn1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MS... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00607
BindingDB Entry DOI: 10.7270/Q2TH8RJJ |
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 | 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 | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595435
(CHEMBL5179682)Show SMILES CCN1CCC(CC1)c1cc2c(F)cc(cc2nn1)-c1cc(C)c2nc(C)cn2n1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00875
BindingDB Entry DOI: 10.7270/Q2K35ZPC |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595435
(CHEMBL5179682)Show SMILES CCN1CCC(CC1)c1cc2c(F)cc(cc2nn1)-c1cc(C)c2nc(C)cn2n1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
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)) | 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
| 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 | |
Huntingtin
(Homo sapiens (Human)) | BDBM37533
((2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene...)Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,10,13-15,25-26,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,10?,13?,14-,15-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2SQ8XSH |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM37535
(CHLORTETRACYCLINE HYDROCHLORIDE | MLS000069428 | S...)Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8-,11?,13?,15-,21-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2SQ8XSH |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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) |
Huntingtin
(Homo sapiens (Human)) | BDBM50595433
(CHEMBL5195936)Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1ccnc(O)c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00875
BindingDB Entry DOI: 10.7270/Q2K35ZPC |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595433
(CHEMBL5195936)Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1ccnc(O)c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
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 | 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 | |
Huntingtin
(Homo sapiens (Human)) | BDBM32023
((2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene...)Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,13?,14?,15-,21+,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2SQ8XSH |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595434
(CHEMBL5175104)Show SMILES CCN1CCC(CC1)c1cc(C)c2nc(cc(=O)n2c1)-c1ccc2nn(C)cc2c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM50595434
(CHEMBL5175104)Show SMILES CCN1CCC(CC1)c1cc(C)c2nc(cc(=O)n2c1)-c1ccc2nn(C)cc2c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00875
BindingDB Entry DOI: 10.7270/Q2K35ZPC |
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 | |
Huntingtin
(Homo sapiens (Human)) | BDBM37534
((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...)Show SMILES CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2SQ8XSH |
More data for this
Ligand-Target Pair | |
Huntingtin
(Homo sapiens (Human)) | BDBM37536
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2SQ8XSH |
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 | |
Search and Browse
