Found 11 hits for monomerid = 50382048 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 |
Neuronal acetylcholine receptor protein alpha-7 subunit
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at alpha4beta2 nAChR |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
alpha-1 Nicotinic AChR
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at alpha1 nAChR |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | 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 | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this Ligand-Target Pair | |