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BDBM50001747 (+)-Kadsurenone::(Kadsurenone)5-Allyl-2-(3,4-dimethoxy-phenyl)-3a-methoxy-3-methyl-3,3a-dihydro-2H-benzofuran-6-one::5-Allyl-2-(3,4-dimethoxy-phenyl)-3a-methoxy-3-methyl-3,3a-dihydro-2H-benzofuran-6-one::CHEMBL296958::KADSURENONE

SMILES: COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C

InChI Key: InChIKey=VDYACOATPFOZIO-UBWHGVKJSA-N

Data: 2 KI  8 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 10 hits for monomerid = 50001747   
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
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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225n/an/an/an/an/an/an/an/a



Rhone-Poulenc Sante

Curated by PDSP Ki Database




J Pharmacol Exp Ther 252: 1221-7 (1990)


BindingDB Entry DOI: 10.7270/Q2JW8CC2
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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231n/an/an/an/an/an/an/an/a



Rhone-Poulenc Sante

Curated by PDSP Ki Database




J Pharmacol Exp Ther 252: 1221-7 (1990)


BindingDB Entry DOI: 10.7270/Q2JW8CC2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 2.46E+5n/an/an/an/an/an/a



Universidad Nacional de Colombia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2 by EIA


Bioorg Med Chem Lett 19: 6922-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.069
BindingDB Entry DOI: 10.7270/Q2J1043X
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50% of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50 %of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50% of the specific [3H]PAF binding, obtained as natural product.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Universidad Nacional de Colombia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of transformation of AA to PGH2 by EIA


Bioorg Med Chem Lett 19: 6922-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.069
BindingDB Entry DOI: 10.7270/Q2J1043X
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition concentration required to block 50% of the specific [3H]PAF binding, obtained from Chiralpak column at low temperatures.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit PAF binding to rabbit platelet membrane


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma


J Med Chem 36: 580-90 (1993)


BindingDB Entry DOI: 10.7270/Q2SX6C9X
More data for this
Ligand-Target Pair