Found 10 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 |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ... |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(attus norvegicus (Rat)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth... |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 7 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells at 10 nM to 10 uM at holding potential of -80 mV measured after 5 mins by QPatch automated patch clamp... |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation c... |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50457696
(CHEMBL4214486)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience LLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis |
J Med Chem 61: 6018-6033 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM |
More data for this Ligand-Target Pair | |