BDBM16430 (2E)-3-phenylprop-2-enoic acid::CHEMBL27246::Cinnamic acid::Zimtsaeure::Zimtsaeure | trans-Cinnamate::t-Cinnamic acid::trans-Cinnamate

SMILES: OC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-N

Data: 4 KI  10 IC50

PDB links: 8 PDB IDs match this monomer. 68 PDB IDs contain this monomer as substructures. 68 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 14 hits for monomerid = 16430   

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
Histone deacetylase (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay				Bioorg Med Chem 17: 5219-28 (2009) Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82
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Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 2736-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.091 BindingDB Entry DOI: 10.7270/Q2542NX8
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Aldose reductase (AR) (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.80E+5	-4.84	n/a	n/a	n/a	n/a	n/a	7.0	25
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
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Aldose Reductase (ALR2) Mutant (C298A/W219Y) (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.39E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wiscosin					Assay Description The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...				Bioorg Chem 34: 424-44 (2006) Article DOI: 10.1016/j.bioorg.2006.09.004 BindingDB Entry DOI: 10.7270/Q2SN076W
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Dihydroorotate dehydrogenase (fumarate) (Leishmania major)	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...				Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS
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Dihydroorotate dehydrogenase (fumarate) (Leishmania major)	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...				Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS
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Tankyrase 1/2 (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	685	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
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Xanthine dehydrogenase (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Medicinal Materials Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry				Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ
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Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and ...				Citation and Details Article DOI: 10.1007/s00044-011-9699-9 BindingDB Entry DOI: 10.7270/Q2930X2H
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Beta amyloid A4 protein (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assay				Bioorg Med Chem 20: 5844-9 (2012) Article DOI: 10.1016/j.bmc.2012.08.001 BindingDB Entry DOI: 10.7270/Q2M048BH
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Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry				Bioorg Med Chem Lett 21: 1983-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.028 BindingDB Entry DOI: 10.7270/Q2T43TCF
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Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry				J Nat Prod 72: 1205-8 (2009) Article DOI: 10.1021/np900031q BindingDB Entry DOI: 10.7270/Q2QF8T0K
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Acetylcholinesterase (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	9.90E+6	n/a	n/a	n/a	n/a	8.0	n/a
Instituto Superior Técnico					Assay Description AChE enzymatic activity was measured using an adaptation of the method previously described [Ingkaninan et al., J. Ethnopharmacol., 89:261-264]; 98 &...				J Enzyme Inhib Med Chem 26: 485-97 (2011) Article DOI: 10.3109/14756366.2010.529806 BindingDB Entry DOI: 10.7270/Q2862FBS
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Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
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