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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase' AND taxid = 118562   
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


(Spirulina platensis)
BDBM50198305
PNG
(1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b...)
Show SMILES OC(=O)c1cc2C3C(C4C(c2cc1S(O)(=O)=O)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl
Show InChI InChI=1S/C21H8Cl12O5S/c22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(34)35)6(39(36,37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33/h1-2,7-10H,(H,34,35)(H,36,37,38)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


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


(Spirulina platensis)
BDBM50158383
PNG
(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


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


(Spirulina platensis)
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


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


(Spirulina platensis)
BDBM50262190
PNG
(2,3-dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(Br)C(Br)c1ccnc2ccccc12
Show InChI InChI=1S/C18H12Br2N2O3/c19-16(14-9-10-21-15-4-2-1-3-13(14)15)17(20)18(23)11-5-7-12(8-6-11)22(24)25/h1-10,16-17H
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n/an/a 1.00E+5n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


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


(Spirulina platensis)
BDBM50241487
PNG
(2,3,6,23-tetrahydroxyurs-12-en-28-oic acid | Asiat...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


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


(Spirulina platensis)
BDBM50262189
PNG
(1-(bromo(1-naphthyl)methyl)naphthalene | CHEMBL512...)
Show SMILES BrC(c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C21H15Br/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21H
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n/an/a 2.00E+5n/an/an/an/an/an/a



Ruhr-University Bochum

Curated by ChEMBL


Assay Description
Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay


Citation and Details
More data for this
Ligand-Target Pair