Found 10 hits for monomerid = 104500 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 |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 36.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The inhibitory activity of the compounds of this invention against the SGLT-1 or SGLT-2 transporters. |
US Patent US8575114 (2013)
BindingDB Entry DOI: 10.7270/Q23B5XTT |
More data for this Ligand-Target Pair | |
Sodium/glucose cotransporter 1 (SGLT1)
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research, Inc.
US Patent
| Assay Description The inhibitory activity of the compounds of this invention against the SGLT-1 or SGLT-2 transporters. |
US Patent US8575114 (2013)
BindingDB Entry DOI: 10.7270/Q23B5XTT |
More data for this Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi... |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Sodium/glucose cotransporter 1 (SGLT1)
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysi... |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM104500
(US8575114, I-12)Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem 22: 3414-22 (2014)
Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT |
More data for this Ligand-Target Pair | |