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There are 359 purchasable compounds for target: Acetylcholinesterase (human AChE)

Wt: 214.1
BDBM152532
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Wt: 304.3
BDBM152536
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Wt: 318.3
BDBM152547
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Wt: 217.0
BDBM152502
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Wt: 272.2
BDBM152505
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Wt: 286.2
BDBM7462
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Wt: 286.2
BDBM7459
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Wt: 302.2
BDBM7460
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Wt: 286.2
BDBM7457
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Wt: 270.2
BDBM7458
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Wt: 478.6
BDBM9047
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Wt: 258.3
BDBM8994
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Wt: 190.3
BDBM8978
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Wt: 537.5
BDBM9012
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Wt: 212.2
BDBM8984
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Displayed 1 to 15 (of 391 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 152532,152536,152547,152502,152505,7462,7459,7460,7457,7458,9047,8994,8978,9012,8984   
Target
(Institution)
LigandTarget
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM152502
PNG
(2-bromo-1,4-dimethoxybenzene (14))
Show SMILES COc1ccc(OC)c(Br)c1
Show InChI InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
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4.25n/a 7.21n/an/an/an/an/an/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 ÁL of Tris/HCl buffer (...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM152505
PNG
((2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone (1...)
Show SMILES COc1ccc(cc1)C(=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3
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5.88n/a 5.25n/an/an/an/an/an/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 ÁL of Tris/HCl buffer (...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
3.83E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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6.58E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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9.28E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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1.00E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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1.22E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8978
PNG
((Propylcarbonylthioethyl)trimethylammonium iodide ...)
Show SMILES CCCC(=O)SCC[N+](C)(C)C
Show InChI InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
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n/an/a 1.26E+5n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition acetylcholinesterase (AChE) enzyme.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocyte acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8984
PNG
(7-methyl-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Cc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 8.13E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocyte acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM152532
PNG
(Benzo[g]pteridine-2,4(3H,10H)-dione (7))
Show SMILES O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
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n/an/a 6.45E+4n/an/an/an/an/an/a



The M. S. University of Baroda



Assay Description
Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM152536
PNG
(10-Benzylbenzo[g]pteridine-2,4(3H,10H)-dione (7d))
Show SMILES O=c1nc2n(Cc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C17H12N4O2/c22-16-14-15(19-17(23)20-16)21(10-11-6-2-1-3-7-11)13-9-5-4-8-12(13)18-14/h1-9H,10H2,(H,20,22,23)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The M. S. University of Baroda



Assay Description
Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM152547
PNG
(10-Phenethylbenzo[g]pteridine-2,4(3H,10H)-dione (7...)
Show SMILES O=c1nc2n(CCc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C18H14N4O2/c23-17-15-16(20-18(24)21-17)22(11-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)19-15/h1-9H,10-11H2,(H,21,23,24)
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n/an/a 5.28E+4n/an/an/an/an/an/a



The M. S. University of Baroda



Assay Description
Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 6.43E+4n/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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n/an/a 1.40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8984
PNG
(7-methyl-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Cc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 8n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8994
PNG
(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine | ...)
Show SMILES COc1cc2nc3CCCCc3c(N)c2cc1OC
Show InChI InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
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n/an/a 5.20E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 7.28E+4n/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8984
PNG
(7-methyl-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Cc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 8.10E+3n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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UniChem

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Article
PubMed
n/an/a 0.00800n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 152532,152536,152547,152502,152505,7462,7459,7460,7457,7458,9047,8994,8978,9012,8984
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Serine/threonine-protein kinase PIM

(Homo sapiens (human))
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
DrugBank
GoogleScholar
KEGG
PDB
-9.78-0.257-9.587.597.510


TBA



Details of this binding reaction

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-8.080.840-8.925.83730


TBA



Details of this binding reaction

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-7.40-2.66-4.745.34730


TBA



Details of this binding reaction

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7459
JPEG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
GoogleScholar
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.12-4.08-3.055.14730


TBA



Details of this binding reaction

Transcriptional Regulator TtgR-DNA

(Pseudomonas putida)
BDBM7460
JPEG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-7.94-2.82-5.125.73730


TBA



Details of this binding reaction

Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM7458
JPEG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-6.66-5.38-1.284.81730


TBA



Details of this binding reaction