BDBM50386885 CANAGLIFLOZIN::CANAGLIFLOZIN HYDRATE::US10752604, Example Canagliflozin

SMILES: Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=XTNGUQKDFGDXSJ-ZXGKGEBGSA-N

Data: 10 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50386885   

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))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scinti...				Bioorg Med Chem 21: 5561-72 (2013) Article DOI: 10.1016/j.bmc.2013.05.048 BindingDB Entry DOI: 10.7270/Q2RX9DHV
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay				Bioorg Med Chem 20: 4117-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.053 BindingDB Entry DOI: 10.7270/Q26111CJ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1) (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay				Bioorg Med Chem 20: 4117-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.053 BindingDB Entry DOI: 10.7270/Q26111CJ
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Haisco Pharmaceuticals Group Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method				J Med Chem 60: 4173-4184 (2017) Article DOI: 10.1021/acs.jmedchem.6b01818 BindingDB Entry DOI: 10.7270/Q2W37ZFS
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1) (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Haisco Pharmaceuticals Group Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method				J Med Chem 60: 4173-4184 (2017) Article DOI: 10.1021/acs.jmedchem.6b01818 BindingDB Entry DOI: 10.7270/Q2W37ZFS
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of SGLT2 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Je II Pharmaceutical Co., Ltd. US Patent					Assay Description To analyze a sodium-dependent glucose transport, cells for expressing hSGLT1 and hSGLT2 were seeded at 1×105 cells per well into a 96-well culture pl...				US Patent US10752604 (2020)
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Je II Pharmaceutical Co., Ltd. US Patent					Assay Description To analyze a sodium-dependent glucose transport, cells for expressing hSGLT1 and hSGLT2 were seeded at 1×105 cells per well into a 96-well culture pl...				US Patent US10752604 (2020)
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of human SGLT2				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111773
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	684	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of human SGLT1				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111773
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of SGLT1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50386885 (CANAGLIFLOZIN | CANAGLIFLOZIN HYDRATE | US10752604...) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of SGLT2 (unknown origin)				Bioorg Med Chem 26: 3947-3952 (2018) Article DOI: 10.1016/j.bmc.2018.06.017 BindingDB Entry DOI: 10.7270/Q2P84FJN
					More data for this Ligand-Target Pair