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PubMed code 18166466

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DOPAMINE


(RAT)
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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192n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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1.13E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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1.42E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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2.52E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50375220
PNG
(ANISOCOUMARIN H)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 |w:4.4|
Show InChI InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
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2.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50375220
PNG
(ANISOCOUMARIN H)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 |w:4.4|
Show InChI InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50375220
PNG
(ANISOCOUMARIN H)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 |w:4.4|
Show InChI InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50375219
PNG
(CHEMBL258939)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Show InChI InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50375220
PNG
(ANISOCOUMARIN H)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 |w:4.4|
Show InChI InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 3218-23 (2008)


Article DOI: 10.1016/j.bmc.2007.12.021
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%