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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'd''andrea' and Initial = 'sv'   
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
Mu-type opioid receptor


(MOUSE)
BDBM50007002
PNG
(3,4-Dichloro-N-(3-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-13-6-4-5-7-14(13)12-19(18)24(3)20(25)15-8-9-16(21)17(22)10-15/h4-10,18-19H,11-12H2,1-3H3/t18-,19-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50229403
PNG
(CHEMBL2311130)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Compound was evaluated for time-dependent inactivation of Ribonucleotide diphosphate reductase (RDPR) in E. coli


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006996
PNG
(3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)17-8-9-18(23)19(24)12-17)20-13-15-6-2-3-7-16(15)14-21(20)26-10-4-5-11-26/h2-3,6-9,12,20-21H,4-5,10-11,13-14H2,1H3/t20-,21-/m1/s1
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374n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50007004
PNG
(3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1
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505n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006994
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...)
Show SMILES Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O.ClH/c1-26(23(28)13-16-8-9-19(24)20(25)12-16)21-14-17-6-2-3-7-18(17)15-22(21)27-10-4-5-11-27;/h2-3,6-9,12,21-22H,4-5,10-11,13-15H2,1H3;1H/t21-,22-;/m1./s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50007001
PNG
(3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O/c1-29(26(31)19-8-9-22(27)23(28)14-19)24-15-20-12-17-6-2-3-7-18(17)13-21(20)16-25(24)30-10-4-5-11-30/h2-3,6-9,12-14,24-25H,4-5,10-11,15-16H2,1H3/t24-,25-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50007000
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006999
PNG
(2-(3,4-Dichloro-phenyl)-N-(2-dimethylamino-1,2,3,4...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(2)19-11-9-15-6-4-5-7-16(15)21(19)25(3)20(26)13-14-8-10-17(22)18(23)12-14/h4-8,10,12,19,21H,9,11,13H2,1-3H3/t19-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006998
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...)
Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N2O/c1-30(27(32)13-18-8-9-23(28)24(29)12-18)25-16-21-14-19-6-2-3-7-20(19)15-22(21)17-26(25)31-10-4-5-11-31/h2-3,6-9,12,14-15,25-26H,4-5,10-11,13,16-17H2,1H3/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50006994
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...)
Show SMILES Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O.ClH/c1-26(23(28)13-16-8-9-19(24)20(25)12-16)21-14-17-6-2-3-7-18(17)15-22(21)27-10-4-5-11-27;/h2-3,6-9,12,21-22H,4-5,10-11,13-15H2,1H3;1H/t21-,22-;/m1./s1
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n/an/a 5.20n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50007000
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50006999
PNG
(2-(3,4-Dichloro-phenyl)-N-(2-dimethylamino-1,2,3,4...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(2)19-11-9-15-6-4-5-7-16(15)21(19)25(3)20(26)13-14-8-10-17(22)18(23)12-14/h4-8,10,12,19,21H,9,11,13H2,1-3H3/t19-,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50006996
PNG
(3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)17-8-9-18(23)19(24)12-17)20-13-15-6-2-3-7-16(15)14-21(20)26-10-4-5-11-26/h2-3,6-9,12,20-21H,4-5,10-11,13-14H2,1H3/t20-,21-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50007002
PNG
(3,4-Dichloro-N-(3-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-13-6-4-5-7-14(13)12-19(18)24(3)20(25)15-8-9-16(21)17(22)10-15/h4-10,18-19H,11-12H2,1-3H3/t18-,19-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50007001
PNG
(3,4-Dichloro-N-methyl-N-(3-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O/c1-29(26(31)19-8-9-22(27)23(28)14-19)24-15-20-12-17-6-2-3-7-18(17)13-21(20)16-25(24)30-10-4-5-11-30/h2-3,6-9,12-14,24-25H,4-5,10-11,15-16H2,1H3/t24-,25-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50006998
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-pyrrolidin-1...)
Show SMILES CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N2O/c1-30(27(32)13-18-8-9-23(28)24(29)12-18)25-16-21-14-19-6-2-3-7-20(19)15-22(21)17-26(25)31-10-4-5-11-31/h2-3,6-9,12,14-15,25-26H,4-5,10-11,13,16-17H2,1H3/t25-,26-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
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n/an/a 368n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291391
PNG
(3-[(E)-1-((E)-2-Carboxy-1-methyl-vinyl)-4-(5,5,8,8...)
Show SMILES C\C(=C/C(O)=O)\C(=C\CCc1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H36O4/c1-21(16-30(34)35)27(24-9-7-10-25(18-24)31(36)37)11-6-8-22-12-13-23-19-28-29(20-26(23)17-22)33(4,5)15-14-32(28,2)3/h7,9-13,16-20H,6,8,14-15H2,1-5H3,(H,34,35)(H,36,37)/b21-16+,27-11-
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50007004
PNG
(3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291389
PNG
(3-{(E)-3-Carbamoyl-2-methyl-1-[1-(5,5,8,8-tetramet...)
Show SMILES C\C(=C/C(N)=O)\C(=C\c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C31H34N2O2/c1-19(13-28(32)34)25(22-7-6-8-23(16-22)29(33)35)15-20-9-10-21-17-26-27(18-24(21)14-20)31(4,5)12-11-30(26,2)3/h6-10,13-18H,11-12H2,1-5H3,(H2,32,34)(H2,33,35)/b19-13+,25-15-
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291390
PNG
(3-{(E)-3-Carboxy-1-[1-(4-decyloxy-phenyl)-meth-(E)...)
Show SMILES CCCCCCCCCCOc1ccc(\C=C(\C(\C)=C\C(O)=O)/c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C29H36O5/c1-3-4-5-6-7-8-9-10-18-34-26-16-14-23(15-17-26)20-27(22(2)19-28(30)31)24-12-11-13-25(21-24)29(32)33/h11-17,19-21H,3-10,18H2,1-2H3,(H,30,31)(H,32,33)/b22-19+,27-20-
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291388
PNG
(3-[(E)-4-(4-Adamantan-1-yl-3-hydroxy-phenyl)-1-((E...)
Show SMILES C\C(=C/C(O)=O)\C(=C\CCc1ccc(c(O)c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H34O5/c1-19(10-29(33)34)26(24-5-3-6-25(15-24)30(35)36)7-2-4-20-8-9-27(28(32)14-20)31-16-21-11-22(17-31)13-23(12-21)18-31/h3,5-10,14-15,21-23,32H,2,4,11-13,16-18H2,1H3,(H,33,34)(H,35,36)/b19-10+,26-7-/t21-,22+,23-,31?
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291387
PNG
(3-{(E)-3-Carboxy-1-[1-(6-decyloxy-naphthalen-2-yl)...)
Show SMILES CCCCCCCCCCOc1ccc2cc(\C=C(\C(\C)=C\C(O)=O)/c3cccc(c3)C(O)=O)ccc2c1
Show InChI InChI=1S/C33H38O5/c1-3-4-5-6-7-8-9-10-18-38-30-17-16-26-20-25(14-15-27(26)23-30)21-31(24(2)19-32(34)35)28-12-11-13-29(22-28)33(36)37/h11-17,19-23H,3-10,18H2,1-2H3,(H,34,35)(H,36,37)/b24-19+,31-21-
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291392
PNG
(3-{(E)-3-Carboxy-2-methyl-1-[1-(5,5,8,8-tetramethy...)
Show SMILES C\C(=C/C(O)=O)\C(=C\c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C31H32O4/c1-19(13-28(32)33)25(22-7-6-8-23(16-22)29(34)35)15-20-9-10-21-17-26-27(18-24(21)14-20)31(4,5)12-11-30(26,2)3/h6-10,13-18H,11-12H2,1-5H3,(H,32,33)(H,34,35)/b19-13+,25-15-
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50291386
PNG
(3-{(E)-3-Carboxy-2-methyl-1-[1-[6-(3-phenyl-propox...)
Show SMILES C\C(=C/C(O)=O)\C(=C\c1ccc2cc(OCCCc3ccccc3)ccc2c1)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H28O5/c1-22(17-31(33)34)30(27-10-5-11-28(20-27)32(35)36)19-24-12-13-26-21-29(15-14-25(26)18-24)37-16-6-9-23-7-3-2-4-8-23/h2-5,7-8,10-15,17-21H,6,9,16H2,1H3,(H,33,34)(H,35,36)/b22-17+,30-19-
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50288286
PNG
(3-[(1E,3E,5E)-1-((E)-2-Carboxy-1-methyl-vinyl)-4-m...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C(/C(/C)=C/C(O)=O)\c1cccc(c1)C(O)=O
Show InChI InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16+,23-13-
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)


Bioorg Med Chem Lett 7: 793-798 (1997)


Article DOI: 10.1016/S0960-894X(97)00110-8
BindingDB Entry DOI: 10.7270/Q26D5T0F
More data for this
Ligand-Target Pair