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Compile Data Set for Download or QSAR

Found 310 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase'   
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
Adenylate cyclase


(Rattus norvegicus)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50010709
PNG
(5-Benzofuran-7-yl-8-chloro-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Show InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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9.10n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144001
PNG
(3-{4-[1-(2',4'-Dichloro-biphenyl-4-ylcarbamoyl)-he...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N2O5/c1-2-3-4-5-6-27(39-24-14-9-21(10-15-24)29(37)33-18-17-28(35)36)30(38)34-23-12-7-20(8-13-23)25-16-11-22(31)19-26(25)32/h7-16,19,27H,2-6,17-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144020
PNG
(3-{4-[1-(4-Benzofuran-2-yl-phenylcarbamoyl)-heptyl...)
Show SMILES CCCCCCC(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C32H34N2O6/c1-2-3-4-5-10-28(39-26-17-13-23(14-18-26)31(37)33-20-19-30(35)36)32(38)34-25-15-11-22(12-16-25)29-21-24-8-6-7-9-27(24)40-29/h6-9,11-18,21,28H,2-5,10,19-20H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144015
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-octyl]...)
Show SMILES CCCCCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C33H36N2O5/c1-2-3-4-5-9-27(21-23-11-13-25(14-12-23)32(38)34-20-19-31(36)37)33(39)35-28-17-15-24(16-18-28)30-22-26-8-6-7-10-29(26)40-30/h6-8,10-18,22,27H,2-5,9,19-21H2,1H3,(H,34,38)(H,35,39)(H,36,37)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144002
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(2',4'-dichloro-bi...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C35H34Cl2N2O4/c1-35(2,3)26-12-8-24(9-13-26)30(20-22-4-6-25(7-5-22)33(42)38-19-18-32(40)41)34(43)39-28-15-10-23(11-16-28)29-17-14-27(36)21-31(29)37/h4-17,21,30H,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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39.9n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144008
PNG
(3-{4-[2-(4-Benzofuran-2-yl-phenylcarbamoyl)-2-(4-t...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C37H36N2O5/c1-37(2,3)29-16-12-25(13-17-29)31(22-24-8-10-27(11-9-24)35(42)38-21-20-34(40)41)36(43)39-30-18-14-26(15-19-30)33-23-28-6-4-5-7-32(28)44-33/h4-19,23,31H,20-22H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)
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69n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced monkey adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144003
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H31F3N2O5/c1-29(2,3)22-10-8-20(9-11-22)25(28(39)35-23-12-14-24(15-13-23)40-30(31,32)33)18-19-4-6-21(7-5-19)27(38)34-17-16-26(36)37/h4-15,25H,16-18H2,1-3H3,(H,34,38)(H,35,39)(H,36,37)
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144016
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O5/c1-34(2,3)27-15-9-25(10-16-27)31(41-29-19-13-26(14-20-29)32(39)35-22-21-30(37)38)33(40)36-28-17-11-24(12-18-28)23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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144n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144009
PNG
(3-{4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluorome...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)/t21-,23-
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254n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144004
PNG
(3-{4-[2-(Biphenyl-4-ylcarbamoyl)-2-(4-tert-butyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O4/c1-35(2,3)29-17-13-27(14-18-29)31(23-24-9-11-28(12-10-24)33(40)36-22-21-32(38)39)34(41)37-30-19-15-26(16-20-30)25-7-5-4-6-8-25/h4-20,31H,21-23H2,1-3H3,(H,36,40)(H,37,41)(H,38,39)
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300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144012
PNG
(4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-phenyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H30N6O3/c1-32(2,3)25-15-9-23(10-16-25)28(30(40)33-26-17-11-22(12-18-26)21-7-5-4-6-8-21)41-27-19-13-24(14-20-27)29(39)34-31-35-37-38-36-31/h4-20,28H,1-3H3,(H,33,40)(H2,34,35,36,37,38,39)
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317n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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415n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144006
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(quinolin-3-ylcarb...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C32H33N3O4/c1-32(2,3)25-14-12-22(13-15-25)27(31(39)35-26-19-24-6-4-5-7-28(24)34-20-26)18-21-8-10-23(11-9-21)30(38)33-17-16-29(36)37/h4-15,19-20,27H,16-18H2,1-3H3,(H,33,38)(H,35,39)(H,36,37)
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610n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase Forskolin


(RAT)
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)

More data for this
Ligand-Target Pair
Adenylate cyclase Forskolin


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144005
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-hydroxymethyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C30H34N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(29(37)32-25-14-6-21(19-33)7-15-25)18-20-4-8-23(9-5-20)28(36)31-17-16-27(34)35/h4-15,26,33H,16-19H2,1-3H3,(H,31,36)(H,32,37)(H,34,35)
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase Forskolin


(RAT)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144011
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-ethyl-phenylcar...)
Show SMILES CCc1ccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-8-16-26(17-9-21)33-30(37)27(23-12-14-25(15-13-23)31(2,3)4)20-22-6-10-24(11-7-22)29(36)32-19-18-28(34)35/h6-17,27H,5,18-20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144014
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-(4-ethyl-piperazin...)
Show SMILES CCN1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H39N3O4/c1-5-31-16-18-32(19-17-31)28(36)25(22-10-12-24(13-11-22)29(2,3)4)20-21-6-8-23(9-7-21)27(35)30-15-14-26(33)34/h6-13,25H,5,14-20H2,1-4H3,(H,30,35)(H,33,34)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144013
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-trifluoromethox...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(COC(F)(F)F)cc1
Show InChI InChI=1S/C31H33F3N2O5/c1-30(2,3)24-12-10-22(11-13-24)26(18-20-4-8-23(9-5-20)28(39)35-17-16-27(37)38)29(40)36-25-14-6-21(7-15-25)19-41-31(32,33)34/h4-15,26H,16-19H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144000
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-piperidin-1-yl-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H41N3O4/c1-34(2,3)27-13-11-25(12-14-27)30(23-24-7-9-26(10-8-24)32(40)35-20-19-31(38)39)33(41)36-28-15-17-29(18-16-28)37-21-5-4-6-22-37/h7-18,30H,4-6,19-23H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144007
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(3-ethyl-phenylcar...)
Show SMILES CCc1cccc(NC(=O)C(Cc2ccc(cc2)C(=O)NCCC(O)=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C31H36N2O4/c1-5-21-7-6-8-26(19-21)33-30(37)27(23-13-15-25(16-14-23)31(2,3)4)20-22-9-11-24(12-10-22)29(36)32-18-17-28(34)35/h6-16,19,27H,5,17-18,20H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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>2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144017
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-3-oxo-3-(4-p-tolyl-p...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C34H41N3O4/c1-24-5-15-29(16-6-24)36-19-21-37(22-20-36)33(41)30(26-11-13-28(14-12-26)34(2,3)4)23-25-7-9-27(10-8-25)32(40)35-18-17-31(38)39/h5-16,30H,17-23H2,1-4H3,(H,35,40)(H,38,39)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144019
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(F)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H33FN2O5/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)37-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)36-21-29(35)33(40)41/h4-20,29-30H,21H2,1-3H3,(H,36,38)(H,37,39)(H,40,41)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144018
PNG
(3-{4-[2-(4-tert-Butyl-phenyl)-2-(4-pyrazol-1-yl-ph...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C32H34N4O4/c1-32(2,3)25-11-9-23(10-12-25)28(21-22-5-7-24(8-6-22)30(39)33-19-17-29(37)38)31(40)35-26-13-15-27(16-14-26)36-20-4-18-34-36/h4-16,18,20,28H,17,19,21H2,1-3H3,(H,33,39)(H,35,40)(H,37,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50144010
PNG
(3-{4-[(Biphenyl-4-ylcarbamoyl)-(4-tert-butyl-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(Oc1ccc(cc1)C(=O)NCC(O)C(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N2O6/c1-34(2,3)26-15-9-24(10-16-26)30(32(39)36-27-17-11-23(12-18-27)22-7-5-4-6-8-22)42-28-19-13-25(14-20-28)31(38)35-21-29(37)33(40)41/h4-20,29-30,37H,21H2,1-3H3,(H,35,38)(H,36,39)(H,40,41)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glucagon induced human adenylate cyclase


Bioorg Med Chem Lett 14: 2047-50 (2004)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50005379
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,21?
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
KB for inhibition of adenylate cyclase stimulation in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase Forskolin


(RAT)
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
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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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


()
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


()
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase type II


(Rattus norvegicus)
BDBM50162490
PNG
(5-(6-Cyclohexylamino-purin-9-yl)-tetrahydro-furan-...)
Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-10-11(22)15(23)24-14(10)20-7-18-9-12(16-6-17-13(9)20)19-8-4-2-1-3-5-8/h6-8,10-11,14-15,21-23H,1-5H2,(H,16,17,19)/t10-,11+,14-,15+/m1/s1
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n/an/a 1.14n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of adenylyl cyclase activity in rat cortical membranes


J Med Chem 48: 1550-62 (2005)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50090529
PNG
(2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show InChI InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2
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n/an/a 7.20n/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound evaluated in adenylyl cyclase assay


Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052137
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccccn2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C30H42N2O8/c1-8-27(5)17-21(35)30(37)28(6)20(34)12-14-26(3,4)23(28)22(24(38-18(2)33)29(30,7)40-27)39-25(36)32-16-13-19-11-9-10-15-31-19/h8-11,15,20,22-24,34,37H,1,12-14,16-17H2,2-7H3,(H,32,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50010274
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C25H40N2O8/c1-8-22(5)13-16(30)25(32)23(6)15(29)9-10-21(3,4)18(23)17(34-20(31)27-12-11-26)19(33-14(2)28)24(25,7)35-22/h8,15,17-19,29,32H,1,9-13,26H2,2-7H3,(H,27,31)/t15-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052124
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES COCCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C26H41NO9/c1-9-23(5)14-17(30)26(32)24(6)16(29)10-11-22(3,4)19(24)18(35-21(31)27-12-13-33-8)20(34-15(2)28)25(26,7)36-23/h9,16,18-20,29,32H,1,10-14H2,2-8H3,(H,27,31)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052123
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccccc2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C31H43NO8/c1-8-28(5)18-22(35)31(37)29(6)21(34)14-16-27(3,4)24(29)23(25(38-19(2)33)30(31,7)40-28)39-26(36)32-17-15-20-12-10-9-11-13-20/h8-13,21,23-25,34,37H,1,14-18H2,2-7H3,(H,32,36)/t21-,23-,24-,25-,28-,29-,30+,31-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052141
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-[2-...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCc2ccc(N)cc2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C31H44N2O8/c1-8-28(5)17-22(36)31(38)29(6)21(35)13-15-27(3,4)24(29)23(25(39-18(2)34)30(31,7)41-28)40-26(37)33-16-14-19-9-11-20(32)12-10-19/h8-12,21,23-25,35,38H,1,13-17,32H2,2-7H3,(H,33,37)/t21-,23-,24-,25-,28-,29-,30+,31-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052142
PNG
((2-Hydroxy-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCO)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H37NO8/c1-7-20(4)12-14(27)23(30)21(5)13(26)8-9-19(2,3)16(21)15(28)17(22(23,6)32-20)31-18(29)24-10-11-25/h7,13,15-17,25-26,28,30H,1,8-12H2,2-6H3,(H,24,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052136
PNG
(3-((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,1...)
Show SMILES CCOC(=O)CCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C28H43NO10/c1-9-25(6)15-18(32)28(35)26(7)17(31)11-13-24(4,5)21(26)20(22(37-16(3)30)27(28,8)39-25)38-23(34)29-14-12-19(33)36-10-2/h9,17,20-22,31,35H,1,10-15H2,2-8H3,(H,29,34)/t17-,20-,21-,22-,25-,26-,27+,28-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052143
PNG
(CHEMBL93242 | [2-(4-Amino-phenyl)-ethyl]-carbamic ...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(N)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H42N2O7/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(34)23(28(29,6)38-26)37-24(35)31-15-13-17-8-10-18(30)11-9-17/h7-11,19,21-23,32,34,36H,1,12-16,30H2,2-6H3,(H,31,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052129
PNG
(CHEMBL93259 | Phenethyl-carbamic acid (3R,4aR,5S,6...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccccc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO7/c1-7-26(4)17-20(32)29(35)27(5)19(31)13-15-25(2,3)22(27)21(23(33)28(29,6)37-26)36-24(34)30-16-14-18-11-9-8-10-12-18/h7-12,19,21-23,31,33,35H,1,13-17H2,2-6H3,(H,30,34)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052132
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(2-...)
Show SMILES CN(C)CCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C27H44N2O8/c1-10-24(5)15-18(32)27(34)25(6)17(31)11-12-23(3,4)20(25)19(36-22(33)28-13-14-29(8)9)21(35-16(2)30)26(27,7)37-24/h10,17,19-21,31,34H,1,11-15H2,2-9H3,(H,28,33)/t17-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052127
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CCCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
Show InChI InChI=1S/C26H41NO8/c1-9-13-27-21(31)34-18-19-22(4,5)12-11-16(29)24(19,7)26(32)17(30)14-23(6,10-2)35-25(26,8)20(18)33-15(3)28/h10,16,18-20,29,32H,2,9,11-14H2,1,3-8H3,(H,27,31)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052149
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-all...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCC=C)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C26H39NO8/c1-9-13-27-21(31)34-18-19-22(4,5)12-11-16(29)24(19,7)26(32)17(30)14-23(6,10-2)35-25(26,8)20(18)33-15(3)28/h9-10,16,18-20,29,32H,1-2,11-14H2,3-8H3,(H,27,31)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50052140
PNG
(Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN2CCCCC2)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
Show InChI InChI=1S/C30H48N2O8/c1-8-27(5)18-21(35)30(37)28(6)20(34)12-13-26(3,4)23(28)22(24(38-19(2)33)29(30,7)40-27)39-25(36)31-14-17-32-15-10-9-11-16-32/h8,20,22-24,34,37H,1,9-18H2,2-7H3,(H,31,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1


J Med Chem 39: 2745-52 (1996)

More data for this
Ligand-Target Pair
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