BindingDB PrimarySearch

BDBM23446 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one::CHEMBL45068::Phloretin::cid_4788

SMILES: Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

InChI Key: InChIKey=VGEREEWJJVICBM-UHFFFAOYSA-N

Data: 2 KI 11 IC50 1 EC50 6 ITC

PDB links: 3 PDB IDs match this monomer. 8 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 23446
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Solute carrier family 28 member 3 (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter				Bioorg Med Chem Lett 19: 917-21 (2009) Article DOI: 10.1016/j.bmcl.2008.11.112 BindingDB Entry DOI: 10.7270/Q2K07440
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1) (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institut f£r molekulare Physiologie Curated by ChEMBL					Assay Description Binding affinity against Sodium/glucose co-transporter of isolated renal brush border membranes.				J Med Chem 43: 1692-8 (2000) BindingDB Entry DOI: 10.7270/Q261112H
					More data for this Ligand-Target Pair
Glucose Transporter 1 (hGLUT1) (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucos...				Bioorg Med Chem Lett 23: 6923-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.037 BindingDB Entry DOI: 10.7270/Q2639R6Q
Universit£ di Pisa Curated by ChEMBL					More data for this Ligand-Target Pair
Monocarboxylate transporter 2 (Rattus norvegicus)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytes				J Physiol (Lond) 529: 285-93 (2000) Article DOI: 10.1111/j.1469-7793.2000.00285.x BindingDB Entry DOI: 10.7270/Q2WM1H9H
University of Bristol Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...				J Med Chem 60: 568-579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01134 BindingDB Entry DOI: 10.7270/Q2KK9F2F
Universidade de Lisboa Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1) (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...				J Med Chem 60: 568-579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01134 BindingDB Entry DOI: 10.7270/Q2KK9F2F
Universidade de Lisboa Curated by ChEMBL					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 27: 4889-4892 (2017) Article DOI: 10.1016/j.bmcl.2017.09.035 BindingDB Entry DOI: 10.7270/Q23J3GFT
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and me...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectro...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Topoisomerase I/II (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2 catalytic domain-mediated knotted bacteriophage P4Virl dell0 DNA unknotting by agarose gel electrophoresis				J Nat Prod 58: 217-25 (1995) Article DOI: 10.1021/np50116a009 BindingDB Entry DOI: 10.7270/Q2SQ936B
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+7	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of EGFR				J Nat Prod 69: 14-7 (2006) Article DOI: 10.1021/np050229y BindingDB Entry DOI: 10.7270/Q2FJ2GHF
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 33 (Homo sapiens (Human))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B27SRF
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Monocarboxylate transporter 1 (MCT1) (Rattus norvegicus (Rat))	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Physiologisch-chemisches Institut der Eberhard-Karls-Universit£t T£bingen Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes				Biochem J 341: 529-35 (1999) BindingDB Entry DOI: 10.7270/Q2125TQV
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 23446
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-10.2	4.89	-15.1	7.32	7	30
Imperial College London		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Mol Biol 369: 829-40 (2007)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-8.29	8.70	-17.0	5.99	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR Mutant R176G (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-6.99	14.6	-21.6	5.04	7	30
Imperial College London		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Mol Biol 369: 829-40 (2007)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-8.25	7.43	-15.7	5.95	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR-DNA (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-8.74	10.4	-19.2	6.31	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM23446 (3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	-6.87	-4.88	-1.99	4.96	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Biol Chem 281: 7102-9 (2006)