BindingDB PrimarySearch

BDBM29143 CHEMBL7976::Chalcone 1::Chalcone, 13::cid_637760::substituted chalcone, 5j

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

InChI Key: InChIKey=DQFBYFPFKXHELB-VAWYXSNFSA-N

Data: 1 KI 16 IC50

PDB links: 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 29143
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
Pancreatic alpha-amylase (Sus scrofa (Pig))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic alpha-amylase using soluble starch as substrate after 30 mins by Bernfeld method				Bioorg Med Chem 23: 6725-32 (2015) BindingDB Entry DOI: 10.7270/Q21G0P2X
Freie Universit£t Berlin Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				Bioorg Med Chem 21: 7890-7 (2013) Article DOI: 10.1016/j.bmc.2013.10.004 BindingDB Entry DOI: 10.7270/Q29W0JDC
Konkuk University Curated by ChEMBL					More data for this Ligand-Target Pair
perilipin-1 (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HT2MS2
					More data for this Ligand-Target Pair
perilipin-5 (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2D21W3H
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	8.0	25
Quaid-i-Azam University					Assay Description In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...				J Enzyme Inhib Med Chem 20: 41-7 (2005) Article DOI: 10.1080/14756360400015231 BindingDB Entry DOI: 10.7270/Q2FX781C
Quaid-i-Azam University					More data for this Ligand-Target Pair
Chemokine CXCL12 (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	20
Université Louis Pasteur					Assay Description Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...				J Biol Chem 283: 23189-99 (2008) Article DOI: 10.1074/jbc.M803947200 BindingDB Entry DOI: 10.7270/Q23X858J
Université Louis Pasteur					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
University of Florida Curated by ChEMBL					More data for this Ligand-Target Pair
Tumor necrosis factor receptor R1 (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
AtheroGenics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydrofolate reductase using dihydrofolate as substrate measured every 30 secs over 6 mins by UV/visible spectrophot...				Eur J Med Chem 115: 63-74 (2016) BindingDB Entry DOI: 10.7270/Q20R9R9R
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Mus musculus)	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine lipoxygenase-2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine Prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine prostaglandin G/H synthase 1.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
Yeungnam University Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 5-lipoxygenase in rat RBL1 cells				Citation and Details Article DOI: 10.1007/s00044-013-0745-7 BindingDB Entry DOI: 10.7270/Q22N53QB
TBA					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	7.4	37
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 2818-24 (2009) Article DOI: 10.1021/jm801590u BindingDB Entry DOI: 10.7270/Q2X63K8T
Universita degli Studi di Roma La Sapienza					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 \| Chalcone 1 \| Chalcone, 13 \| cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 2818-24 (2009) Article DOI: 10.1021/jm801590u BindingDB Entry DOI: 10.7270/Q2X63K8T
Universita degli Studi di Roma La Sapienza					More data for this Ligand-Target Pair