Found 5 hits for monomerid = 50523598 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) | BDBM50523598
(CHEMBL4530290)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,18+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.34E+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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50523598
(CHEMBL4530290)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,18+ | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | 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 | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523598
(CHEMBL4530290)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,18+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | 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 | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50523598
(CHEMBL4530290)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | 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 | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50523598
(CHEMBL4530290)Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)| Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)/t14-,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 | 970 | 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 | |
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