Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 14' and Ligand = 'BDBM50541592' 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 |
|---|
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50541592
(CHEMBL3187788)Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) |
J Med Chem 63: 6748-6773 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00055
BindingDB Entry DOI: 10.7270/Q28S4TGR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50541592
(CHEMBL3187788)Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01249
BindingDB Entry DOI: 10.7270/Q23R0XXD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50541592
(CHEMBL3187788)Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) expressed in baculovirus expression system incubated for 120 mins in p... |
J Med Chem 63: 6748-6773 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00055
BindingDB Entry DOI: 10.7270/Q28S4TGR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50541592
(CHEMBL3187788)Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) expressed in baculovirus expression system incubated for 120 mins in p... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115856
BindingDB Entry DOI: 10.7270/Q2ZP49QV |
More data for this
Ligand-Target Pair | |
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