Found 5 hits for monomerid = 50523606 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
1,3-beta-glucan synthase component GLS2
(Saccharomyces cerevisiae) | BDBM50523606
(CHEMBL4461166)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.07E+4 | 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 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523606
(CHEMBL4461166)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18- | 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 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50523606
(CHEMBL4461166)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 910 | 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 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50523606
(CHEMBL4461166)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18- | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | 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 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523606
(CHEMBL4461166)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2c(F)cccc2[nH]1 |r,wU:7.10,wD:4.3,(75.44,-57.01,;74.68,-55.67,;73.14,-55.65,;75.46,-54.34,;74.71,-53,;75.49,-51.67,;74.72,-50.32,;73.19,-50.33,;72.41,-51.65,;73.16,-52.98,;72.43,-48.99,;70.89,-48.99,;70.11,-50.31,;68.58,-50.31,;67.82,-48.97,;68.58,-47.64,;70.12,-47.65,;66.29,-48.97,;65.51,-47.63,;63.97,-47.64,;63.21,-48.97,;63.97,-50.3,;65.51,-50.3,;61.67,-48.97,;60.77,-47.72,;59.29,-48.19,;57.96,-47.43,;57.95,-45.89,;56.63,-48.2,;56.63,-49.74,;57.96,-50.52,;59.29,-49.74,;60.76,-50.22,)| Show InChI InChI=1S/C25H29FN4O3/c26-20-2-1-3-21-24(20)29-25(28-21)17-6-9-22(27-15-17)30-12-10-19(11-13-30)33-18-7-4-16(5-8-18)14-23(31)32/h1-3,6,9,15-16,18-19H,4-5,7-8,10-14H2,(H,28,29)(H,31,32)/t16-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | 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 |
More data for this
Ligand-Target Pair | |
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