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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50523580
(CHEMBL4572398)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 29: 1380-1385 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523580
(CHEMBL4572398)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 29: 1380-1385 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50523580
(CHEMBL4572398)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 29: 1380-1385 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50523580
(CHEMBL4572398)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Activity against human A2AR assessed as inhibition of cAMP accumulation by cAMP functional assay |
Bioorg Med Chem Lett 29: 1380-1385 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523580
(CHEMBL4572398)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| Show InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)18-4-7-21-22(14-18)32-25(31-21)17-3-8-23(30-15-17)33-11-9-20(10-12-33)36-19-5-1-16(2-6-19)13-24(34)35/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,31,32)(H,34,35)/t16-,19- | PDB
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 |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Inhibition of human ACAT1 |
Bioorg Med Chem Lett 29: 1380-1385 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.039
BindingDB Entry DOI: 10.7270/Q2348PSJ |
More data for this
Ligand-Target Pair | |