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
(attus norvegicus (Rat)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 |
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 | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
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 | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 2D6
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 3A4
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 1A2
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50457693
(CHEMBL4218366)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1 | 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 | |