Found 4 hits for monomerid = 50460861 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 |
|---|
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50460861
(CHEMBL4229237)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Flp-In-293 cells assessed as inhibition of CTP-induced chloride current response ... |
Bioorg Med Chem Lett 28: 1392-1396 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.039
BindingDB Entry DOI: 10.7270/Q25T3P36 |
More data for this
Ligand-Target Pair | |
Uridine-5'-diphosphoglucuronosyltransferase 1A1
(Homo sapiens (Human)) | BDBM50460861
(CHEMBL4229237)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1 | UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of UGT1A1 in human liver microsomes assessed as decrease in estradiol-3 glucuronidation |
Bioorg Med Chem Lett 28: 1392-1396 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.039
BindingDB Entry DOI: 10.7270/Q25T3P36 |
More data for this
Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50460861
(CHEMBL4229237)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Activation of PXR (unknown origin) |
Bioorg Med Chem Lett 28: 1392-1396 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.039
BindingDB Entry DOI: 10.7270/Q25T3P36 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50460861
(CHEMBL4229237)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 1392-1396 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.039
BindingDB Entry DOI: 10.7270/Q25T3P36 |
More data for this
Ligand-Target Pair | |
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