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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase type I'   
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


(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


(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 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 type II


(Rattus norvegicus)
BDBM50370620
PNG
(CHEMBL611115)
Show SMILES C[C@@]1(O)[C@@H](CO)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c1-16(24)10(6-22)25-15(12(16)23)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12+,15?,16-/m1/s1
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n/an/a 304n/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 type V


(Rattus norvegicus)
BDBM50140057
PNG
(2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetra...)
Show SMILES CC1OC(CC1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)

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


(Rattus norvegicus)
BDBM50370376
PNG
(CHEMBL1229920)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)

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


(Rattus norvegicus)
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)

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


(Rattus norvegicus)
BDBM50008363
PNG
(5-(6-Amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-te...)
Show SMILES Nc1nc(F)nc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)

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


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)

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


(Bos taurus)
BDBM50010272
PNG
(CHEMBL322952 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(30(43)35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 94n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010271
PNG
(CHEMBL111425 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(41)28(33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 60n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010266
PNG
(CHEMBL324659 | {6-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C36H54N2O9/c1-7-33(4)22-26(41)36(45)34(5)25(40)18-19-32(2,3)29(34)28(43)30(35(36,6)47-33)46-31(44)38-21-11-9-8-10-20-37-27(42)17-14-23-12-15-24(39)16-13-23/h7,12-13,15-16,25,28-30,39-40,43,45H,1,8-11,14,17-22H2,2-6H3,(H,37,42)(H,38,44)/t25-,28-,29-,30-,33-,34-,35+,36-/m0/s1
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n/an/an/a 82n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010273
PNG
(CHEMBL111738 | {7-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCCCCCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C37H56N2O9/c1-7-34(4)23-27(42)37(46)35(5)26(41)19-20-33(2,3)30(35)29(44)31(36(37,6)48-34)47-32(45)39-22-12-10-8-9-11-21-38-28(43)18-15-24-13-16-25(40)17-14-24/h7,13-14,16-17,26,29-31,40-41,44,46H,1,8-12,15,18-23H2,2-6H3,(H,38,43)(H,39,45)/t26-,29-,30-,31-,34-,35-,36+,37-/m0/s1
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n/an/an/a 53n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
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/an/a 34n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010265
PNG
(CHEMBL327142 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(39)26(31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a 13n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010275
PNG
(CHEMBL324463 | {2-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C32H46N2O9/c1-7-29(4)18-22(37)32(41)30(5)21(36)14-15-28(2,3)25(30)24(26(39)31(32,6)43-29)42-27(40)34-17-16-33-23(38)13-10-19-8-11-20(35)12-9-19/h7-9,11-12,21,24-26,35-36,39,41H,1,10,13-18H2,2-6H3,(H,33,38)(H,34,40)/t21-,24-,25-,26-,29-,30-,31+,32-/m0/s1
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n/an/an/a 174n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010262
PNG
(CHEMBL326703 | {4-[3-(4-Hydroxy-phenyl)-propionyla...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCCCNC(=O)CCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C34H50N2O9/c1-7-31(4)20-24(39)34(43)32(5)23(38)16-17-30(2,3)27(32)26(28(41)33(34,6)45-31)44-29(42)36-19-9-8-18-35-25(40)15-12-21-10-13-22(37)14-11-21/h7,10-11,13-14,23,26-28,37-38,41,43H,1,8-9,12,15-20H2,2-6H3,(H,35,40)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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n/an/an/a 80n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010268
PNG
((2-Amino-ethyl)-carbamic acid (3R,4aR,5S,6S,6aS,10...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C23H38N2O7/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)25-11-10-24/h7,13,15-17,26,28,30H,1,8-12,24H2,2-6H3,(H,25,29)/t13-,15-,16-,17-,20-,21-,22+,23-/m0/s1
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n/an/an/a 98n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
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/an/a 29n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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)
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)
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
Adenylate cyclase type I


(Bos taurus)
BDBM50010260
PNG
(CHEMBL107566 | [2-(2-Bromo-acetylamino)-ethyl]-car...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCNC(=O)CBr)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C25H39BrN2O8/c1-7-22(4)12-15(30)25(34)23(5)14(29)8-9-21(2,3)18(23)17(32)19(24(25,6)36-22)35-20(33)28-11-10-27-16(31)13-26/h7,14,17-19,29,32,34H,1,8-13H2,2-6H3,(H,27,31)(H,28,33)/t14-,17-,18-,19-,22-,23-,24+,25-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


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


(Bos taurus)
BDBM50010270
PNG
(Acetic acid 6-[2-(2-bromo-acetylamino)-ethylcarbam...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CBr)[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/C27H41BrN2O9/c1-8-24(5)13-17(33)27(36)25(6)16(32)9-10-23(3,4)20(25)19(21(37-15(2)31)26(27,7)39-24)38-22(35)30-12-11-29-18(34)14-28/h8,16,19-21,32,36H,1,9-14H2,2-7H3,(H,29,34)(H,30,35)/t16-,19-,20-,21-,24-,25-,26+,27-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


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


(Bos taurus)
BDBM50010269
PNG
(CHEMBL327672 | [2-(4-Hydroxy-phenyl)-ethyl]-carbam...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCc1ccc(O)cc1)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/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)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010267
PNG
(CHEMBL92719 | [2-(4-Hydroxy-phenyl)-ethyl]-carbami...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](OC(=O)NCCc1ccc(O)cc1)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C29H41NO8/c1-7-26(4)16-20(33)29(36)27(5)19(32)12-14-25(2,3)22(27)21(23(34)28(29,6)38-26)37-24(35)30-15-13-17-8-10-18(31)11-9-17/h7-11,19,21-23,31-32,34,36H,1,12-16H2,2-6H3,(H,30,35)/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010264
PNG
((2-Isothiocyanato-ethyl)-carbamic acid 6,10,10b-tr...)
Show SMILES CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](OC(=O)NCCN=C=S)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
Show InChI InChI=1S/C24H36N2O7S/c1-7-21(4)12-15(28)24(31)22(5)14(27)8-9-20(2,3)17(22)16(29)18(23(24,6)33-21)32-19(30)26-11-10-25-13-34/h7,14,16-18,27,29,31H,1,8-12H2,2-6H3,(H,26,30)/t14-,16-,17-,18-,21-,22-,23+,24-/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


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


(Bos taurus)
BDBM50010259
PNG
(Acetic acid 10,10b-dihydroxy-6-{2-[3-(4-hydroxy-ph...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCNC(=O)CCc2ccc(O)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/C34H48N2O10/c1-8-31(5)19-24(40)34(43)32(6)23(39)15-16-30(3,4)27(32)26(28(44-20(2)37)33(34,7)46-31)45-29(42)36-18-17-35-25(41)14-11-21-9-12-22(38)13-10-21/h8-10,12-13,23,26-28,38-39,43H,1,11,14-19H2,2-7H3,(H,35,41)(H,36,42)/t23-,26-,27-,28-,31-,32-,33+,34-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Displacement of [125I]-6-IHPP-Fsk from adenylate cyclase of bovine brain membrane


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


(Bos taurus)
BDBM50010263
PNG
(Acetic acid 10,10b-dihydroxy-6-(2-isothiocyanato-e...)
Show SMILES CC(=O)O[C@H]1[C@@H](OC(=O)NCCN=C=S)[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/C26H38N2O8S/c1-8-23(5)13-17(31)26(33)24(6)16(30)9-10-22(3,4)19(24)18(35-21(32)28-12-11-27-14-37)20(34-15(2)29)25(26,7)36-23/h8,16,18-20,30,33H,1,9-13H2,2-7H3,(H,28,32)/t16-,18-,19-,20-,23-,24-,25+,26-/m0/s1
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Food and Drug Administration

Curated by ChEMBL


Assay Description
Binding activity against Adenylate cyclase in bovine brain membrane using [125I]-6-IHPP-Fsk as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair