BDBM50259746 (4-Hydroxyphenyl)ethyl trans-ferulate::CHEMBL481245::p-Hydroxyphenethyl trans-ferulate (18)::p-hydroxyphenethyl trans-ferulate

SMILES: COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O

InChI Key: InChIKey=JMSFLLZUCIXALN-WEVVVXLNSA-N

Data: 12 KI  3 IC50

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 15 hits for monomerid = 50259746   

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
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus...				Eur J Med Chem 118: 299-315 (2016) BindingDB Entry DOI: 10.7270/Q2GT5Q35
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells by liquid scintillation counting				J Nat Prod 69: 536-41 (2006) Article DOI: 10.1021/np050301s BindingDB Entry DOI: 10.7270/Q2ST7PM1
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Pancreatic lipase (Sus scrofa (Pig))	BDBM50259746 ((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...) Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
Seoul National University					Assay Description Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...				J Enzyme Inhib Med Chem 29: 1-6 (2014) Article DOI: 10.3109/14756366.2012.742517 BindingDB Entry DOI: 10.7270/Q2DJ5DKB
					More data for this Ligand-Target Pair