Found 9 hits in this display 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 |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 1
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Interferon-induced, double-stranded RNA-activated protein kinase
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50442163
(CHEMBL2441346)Show SMILES Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C22H22FN7O/c1-12-8-13(2)30(27-12)10-18(31)29-7-6-15-17(29)5-4-14(20(15)23)16-9-28(3)22-19(16)21(24)25-11-26-22/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis |
ACS Med Chem Lett 4: 964-8 (2013)
Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X |
More data for this Ligand-Target Pair | |