Found 5 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 |
|---|
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50442832
(CHEMBL2441200)Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1 Show InChI InChI=1S/C23H29F3N6O4/c1-15(2)35-22(34)32-12-10-30(11-13-32)17-7-6-16(14-27-17)28-20(33)18-19(23(24,25)26)29-21(36-18)31-8-4-3-5-9-31/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,28,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT-1 expressed in insect Sf9 cell microsomes using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA as substrate after 2 hrs |
Bioorg Med Chem Lett 23: 6410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.048
BindingDB Entry DOI: 10.7270/Q26M3895 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50442832
(CHEMBL2441200)Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1 Show InChI InChI=1S/C23H29F3N6O4/c1-15(2)35-22(34)32-12-10-30(11-13-32)17-7-6-16(14-27-17)28-20(33)18-19(23(24,25)26)29-21(36-18)31-8-4-3-5-9-31/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT-1 |
Bioorg Med Chem Lett 23: 6410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.048
BindingDB Entry DOI: 10.7270/Q26M3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442832
(CHEMBL2441200)Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1 Show InChI InChI=1S/C23H29F3N6O4/c1-15(2)35-22(34)32-12-10-30(11-13-32)17-7-6-16(14-27-17)28-20(33)18-19(23(24,25)26)29-21(36-18)31-8-4-3-5-9-31/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,28,33) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) preincubated prior to substrate addition |
Bioorg Med Chem Lett 23: 6410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.048
BindingDB Entry DOI: 10.7270/Q26M3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50442832
(CHEMBL2441200)Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1 Show InChI InChI=1S/C23H29F3N6O4/c1-15(2)35-22(34)32-12-10-30(11-13-32)17-7-6-16(14-27-17)28-20(33)18-19(23(24,25)26)29-21(36-18)31-8-4-3-5-9-31/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,28,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) preincubated prior to substrate addition |
Bioorg Med Chem Lett 23: 6410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.048
BindingDB Entry DOI: 10.7270/Q26M3895 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50442832
(CHEMBL2441200)Show SMILES CC(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)c2oc(nc2C(F)(F)F)N2CCCCC2)cn1 Show InChI InChI=1S/C23H29F3N6O4/c1-15(2)35-22(34)32-12-10-30(11-13-32)17-7-6-16(14-27-17)28-20(33)18-19(23(24,25)26)29-21(36-18)31-8-4-3-5-9-31/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,28,33) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) coincubated with substrate |
Bioorg Med Chem Lett 23: 6410-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.048
BindingDB Entry DOI: 10.7270/Q26M3895 |
More data for this
Ligand-Target Pair | |