Found 17 hits for monomerid = 50249183 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) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| 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 human ERG by PatchXpress method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Time dependent inhibition of CYP3A4 (unknown origin) in absence of NADPH |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Renal Outer Medullary Potassium (ROMK)
(Rattus norvegicus (Rat)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Activity at PXR (unknown origin) assessed as CYP induction |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+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 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Voltage-gated calcium channel
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Cav1.2 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Inward rectifier potassium channel 2
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Kir2.1 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
1,3-beta-glucan synthase component GLS2
(Saccharomyces cerevisiae) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Qpatch electrophysiology method |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Time dependent inhibition of CYP3A4 (unknown origin) in presence of NADPH |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of human SERT |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Nav1.5 (unknown origin) |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |
1,3-beta-glucan synthase component GLS2
(Saccharomyces cerevisiae) | BDBM50249183
(CHEMBL4069245)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 2559-2566 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G |
More data for this Ligand-Target Pair | |