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BDBM50212323 (3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-hexahydrocyclopenta[c]furan-1-one::BAY36-7620::Bay 36-7620::CHEMBL254372

SMILES: C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1

InChI Key: InChIKey=CVIRWLJKDBYYOG-MJGOQNOKSA-N

Data: 8 KI  1 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 9 hits for monomerid = 50212323   
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
Metabotropic glutamate receptor


(RAT)
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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11.2n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development, Beerse

Curated by PDSP Ki Database




Mol Pharmacol 63: 1082-93 (2003)


Article DOI: 10.1124/mol.63.5.1082
BindingDB Entry DOI: 10.7270/Q2BV7F62
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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140n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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240n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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500n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development, Beerse

Curated by PDSP Ki Database




Mol Pharmacol 63: 1082-93 (2003)


Article DOI: 10.1124/mol.63.5.1082
BindingDB Entry DOI: 10.7270/Q2BV7F62
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



UPR 9023

Curated by PDSP Ki Database




Mol Pharmacol 59: 965-73 (2001)


BindingDB Entry DOI: 10.7270/Q2125R7R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair