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Compile Data Set for Download or QSAR

Found 17 hits of ec50 data for polymerid = 50001002   
Target
(Institution)
LigandTarget
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
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032518
PNG
((6aR,12bS)-3-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2cc(C)ccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-8-22-12-15-9-13(2)4-6-16(15)21-17-11-20(24)19(23)10-14(17)5-7-18(21)22/h4,6,9-11,18,21,23-24H,3,5,7-8,12H2,1-2H3/t18-,21-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010684
PNG
((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m1/s1
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n/an/an/an/a>10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032519
PNG
((6aR,12bS)-2-Phenyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccc(cc4[C@@H]3c2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H21NO2/c25-21-11-16-8-9-20-23(19(16)12-22(21)26)18-10-15(6-7-17(18)13-24-20)14-4-2-1-3-5-14/h1-7,10-12,20,23-26H,8-9,13H2/t20-,23-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for effective dose agonist activity against adenylate cyclase in rat striatal membrane


J Med Chem 37: 2453-60 (1994)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound against adenylate cyclase


J Med Chem 37: 2453-60 (1994)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032522
PNG
((6aR,12bS)-2-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-3-12-9-19-15-5-4-11-7-16(20)17(21)8-14(11)18(15)13(12)6-10/h2-3,6-8,15,18-21H,4-5,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 114n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032524
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...)
Show SMILES Oc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2c1
Show InChI InChI=1S/C17H17NO3/c19-11-2-3-12-10(5-11)8-18-14-4-1-9-6-15(20)16(21)7-13(9)17(12)14/h2-3,5-7,14,17-21H,1,4,8H2/t14-,17-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032520
PNG
((6aR,12bS)-3-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-4-13-12(6-10)9-19-15-5-3-11-7-16(20)17(21)8-14(11)18(13)15/h2,4,6-8,15,18-21H,3,5,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 134n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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n/an/an/an/a 141n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032521
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...)
Show SMILES Oc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C17H17NO3/c19-11-3-1-10-8-18-14-4-2-9-5-15(20)16(21)7-13(9)17(14)12(10)6-11/h1,3,5-7,14,17-21H,2,4,8H2/t14-,17-/m1/s1
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n/an/an/an/a 148n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032523
PNG
((6aR,12bS)-4-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1cccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H19NO2/c1-10-3-2-4-12-14(10)9-19-15-6-5-11-7-16(20)17(21)8-13(11)18(12)15/h2-4,7-8,15,18-21H,5-6,9H2,1H3/t15-,18-/m1/s1
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n/an/an/an/a 151n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/an/an/a 275n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032516
PNG
((6aR,12bS)-4-Methyl-6-propyl-5,6,6a,7,8,12b-hexahy...)
Show SMILES CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/t18-,21-/m1/s1
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n/an/an/an/a 333n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/an/an/a 370n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50032517
PNG
((6aR,12bS)-2-Ethyl-5,6,6a,7,8,12b-hexahydro-benzo[...)
Show SMILES CCc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C19H21NO2/c1-2-11-3-4-13-10-20-16-6-5-12-8-17(21)18(22)9-15(12)19(16)14(13)7-11/h3-4,7-9,16,19-22H,2,5-6,10H2,1H3/t16-,19-/m1/s1
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n/an/an/an/a 610n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration of the compound as Adenylate cyclase activity was measured in rat homogenate


J Med Chem 38: 3062-70 (1995)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)

More data for this
Ligand-Target Pair