BindingDB logo
myBDB logout

32 similar compounds to monomer 50038423

Compile data set for download or QSAR
Wt: 312.3
BDBM153276
Wt: 312.3
BDBM153278
Wt: 270.2
BDBM50580
Purchase
Wt: 317.1
BDBM53111
Purchase
Wt: 294.3
BDBM53098
Purchase
Wt: 284.2
BDBM69395
Purchase
Wt: 256.2
BDBM76675
Purchase
Wt: 252.2
BDBM96228
Purchase
Wt: 284.2
BDBM50123122
Wt: 326.3
BDBM50123124
Wt: 300.2
BDBM50123087
Wt: 300.2
BDBM50123088
Wt: 254.2
BDBM50123106
Purchase
Wt: 298.2
BDBM50123097
Wt: 328.3
BDBM50123101
Displayed 1 to 15 (of 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 153276,153278,50580,53111,53098,69395,76675,96228,50123122,50123124,50123087,50123088,50123106,50123097,50123101   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50123088
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-me...)
Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C16H12O6/c1-21-9-3-2-8(12(18)7-9)6-13-14(19)10-4-5-11(17)15(20)16(10)22-13/h2-7,17-18,20H,1H3/b13-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibitory activity of the compound was determined with respect to EPSP (5-enolpyruvylshikimate- 3-phosphate) synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BTK


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53111
PNG
((2Z)-2-(4-bromobenzylidene)-6-hydroxy-coumaran-3-o...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(Br)cc1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,17H/b14-7-
KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.71E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53098
PNG
((2Z)-2-(4-tert-butylbenzylidene)-6-hydroxy-coumara...)
Show SMILES CC(C)(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C19H18O3/c1-19(2,3)13-6-4-12(5-7-13)10-17-18(21)15-9-8-14(20)11-16(15)22-17/h4-11,20H,1-3H3/b17-10-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.88E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53111
PNG
((2Z)-2-(4-bromobenzylidene)-6-hydroxy-coumaran-3-o...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(Br)cc1
Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,17H/b14-7-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.67E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69395
PNG
((2Z)-2-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-...)
Show SMILES COc1cc(\C=C2/Oc3cc(O)ccc3C2=O)ccc1O
Show InChI InChI=1S/C16H12O5/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,17-18H,1H3/b15-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.24E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.63E+3n/an/an/an/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
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76675
PNG
((2Z)-2-(3-fluorobenzylidene)-6-hydroxy-coumaran-3-...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
Show InChI InChI=1S/C15H9FO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-5-4-11(17)8-13(12)19-14/h1-8,17H/b14-7-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76675
PNG
((2Z)-2-(3-fluorobenzylidene)-6-hydroxy-coumaran-3-...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
Show InChI InChI=1S/C15H9FO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-5-4-11(17)8-13(12)19-14/h1-8,17H/b14-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76675
PNG
((2Z)-2-(3-fluorobenzylidene)-6-hydroxy-coumaran-3-...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
Show InChI InChI=1S/C15H9FO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-5-4-11(17)8-13(12)19-14/h1-8,17H/b14-7-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.97E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
drug resistance protein 2


(Candida albicans)
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 424n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96228
PNG
((2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran...)
Show SMILES COc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 912n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM153276
PNG
((Z)-2-(2,5-Dimethoxybenzylidene)-4-methoxybenzofur...)
Show SMILES COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-13(21-2)11(9-12)10-16-18(19)17-14(22-3)5-4-6-15(17)23-16/h4-10H,1-3H3/b16-10-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Catˇlica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague┐Dawley rats weighing 180┐220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM153278
PNG
((Z)-2-(2,3-Dimethoxybenzylidene)-5-methoxybenzofur...)
Show SMILES COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-14-13(10-12)17(19)16(23-14)9-11-5-4-6-15(21-2)18(11)22-3/h4-10H,1-3H3/b16-9-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pontificia Universidad Catˇlica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague┐Dawley rats weighing 180┐220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM153276
PNG
((Z)-2-(2,5-Dimethoxybenzylidene)-4-methoxybenzofur...)
Show SMILES COc1ccc(OC)c(\C=C2/Oc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-13(21-2)11(9-12)10-16-18(19)17-14(22-3)5-4-6-15(17)23-16/h4-10H,1-3H3/b16-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Pontificia Universidad Catˇlica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague┐Dawley rats weighing 180┐220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM153278
PNG
((Z)-2-(2,3-Dimethoxybenzylidene)-5-methoxybenzofur...)
Show SMILES COc1ccc2O\C(=C/c3cccc(OC)c3OC)C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-20-12-7-8-14-13(10-12)17(19)16(23-14)9-11-5-4-6-15(21-2)18(11)22-3/h4-10H,1-3H3/b16-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Pontificia Universidad Catˇlica de Chile



Assay Description
Briefly, a crude rat brain mitochondrial suspension (male Sprague┐Dawley rats weighing 180┐220 g, killed by decapitation) was used as protein source....


Chem Biol Drug Des 85: 685-95 (2015)


Article DOI: 10.1111/cbdd.12458
BindingDB Entry DOI: 10.7270/Q2BP01HR
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123087
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-3-methoxy-phenyl)-me...)
Show SMILES COc1cccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c1O
Show InChI InChI=1S/C16H12O6/c1-21-11-4-2-3-8(13(11)18)7-12-14(19)9-5-6-10(17)15(20)16(9)22-12/h2-7,17-18,20H,1H3/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123097
PNG
(2-[1-(4-Ethoxy-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES CCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C17H14O5/c1-2-21-11-5-3-10(4-6-11)9-14-15(19)12-7-8-13(18)16(20)17(12)22-14/h3-9,18,20H,2H2,1H3/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123101
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-propoxy-phenyl)-me...)
Show SMILES CCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C18H16O6/c1-2-7-23-11-4-3-10(14(20)9-11)8-15-16(21)12-5-6-13(19)17(22)18(12)24-15/h3-6,8-9,19-20,22H,2,7H2,1H3/b15-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123106
PNG
(6,7-Dihydroxy-2-[1-phenyl-meth-(E)-ylidene]-benzof...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-11-7-6-10-13(17)12(19-15(10)14(11)18)8-9-4-2-1-3-5-9/h1-8,16,18H/b12-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123088
PNG
(6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-me...)
Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)c(O)c1
Show InChI InChI=1S/C16H12O6/c1-21-9-3-2-8(12(18)7-9)6-13-14(19)10-4-5-11(17)15(20)16(10)22-13/h2-7,17-18,20H,1H3/b13-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123122
PNG
(6,7-Dihydroxy-2-[1-(4-methoxy-phenyl)-meth-(E)-yli...)
Show SMILES COc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)8-13-14(18)11-6-7-12(17)15(19)16(11)21-13/h2-8,17,19H,1H3/b13-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Chorismate synthase


(Streptococcus pneumoniae)
BDBM50123124
PNG
(2-[1-(4-Butoxy-phenyl)-meth-(E)-ylidene]-6,7-dihyd...)
Show SMILES CCCCOc1ccc(\C=C2\Oc3c(ccc(O)c3O)C2=O)cc1
Show InChI InChI=1S/C19H18O5/c1-2-3-10-23-13-6-4-12(5-7-13)11-16-17(21)14-8-9-15(20)18(22)19(14)24-16/h4-9,11,20,22H,2-3,10H2,1H3/b16-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase


Bioorg Med Chem Lett 13: 423-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00957-5
BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.99E+5n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...


Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM96228
PNG
((2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran...)
Show SMILES COc1ccc(\C=C2/Oc3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



University of Gujrat

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ...


Bioorg Med Chem 25: 100-106 (2017)


Article DOI: 10.1016/j.bmc.2016.10.016
BindingDB Entry DOI: 10.7270/Q2B85B3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.63E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human SYK


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 850n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.85E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK1


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.07E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK2


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.33E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK3


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BLK


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human ITK


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.32E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.44E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B)


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK5


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK9


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 950n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human TEK


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.26E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3


Eur J Med Chem 130: 195-208 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin) after 30 mins by SDS-PAGE analysis


Bioorg Med Chem Lett 23: 5150-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.020
BindingDB Entry DOI: 10.7270/Q27M09CN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>