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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: P40145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
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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PubMed
n/an/an/an/a 71n/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the adenylate cyclase stimulation


J Med Chem 35: 502-7 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8N95
More data for this
Ligand-Target Pair
Adenylate cyclase type 8


(Homo sapiens (Human))
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 |r|
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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Article
PubMed
n/an/an/an/a 94n/an/an/an/a



Kunming Medical University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit m...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126823
BindingDB Entry DOI: 10.7270/Q2Q52T4B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 8


(Homo sapiens (Human))
BDBM50537925
PNG
(CHEMBL4644318)
Show SMILES CCOC(=O)C1(Cc2ccc(Cl)cc2Cl)C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15Cl2NO3/c1-2-24-17(23)18(10-11-7-8-12(19)9-14(11)20)13-5-3-4-6-15(13)21-16(18)22/h3-9H,2,10H2,1H3,(H,21,22)
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n/an/an/an/a 105n/an/an/an/a



Kunming Medical University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit m...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126823
BindingDB Entry DOI: 10.7270/Q2Q52T4B
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50004821
PNG
(2,3,4,5-Tetrahydro-1H-benzo[d]azepine-7,8-diol | C...)
Show SMILES Oc1cc2CCNCCc2cc1O
Show InChI InChI=1S/C10H13NO2/c12-9-5-7-1-3-11-4-2-8(7)6-10(9)13/h5-6,11-13H,1-4H2
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n/an/an/an/a 5.20E+3n/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the adenylate cyclase stimulation


J Med Chem 35: 502-7 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8N95
More data for this
Ligand-Target Pair
Adenylate cyclase type 1/2/3/4/5/6/7/8/9


(Homo sapiens (Human))
BDBM50230364
PNG
(CHEMBL146629)
Show SMILES [H][C@@]1(CNCCc2cc(O)c(O)cc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h8-9,11,14,17-19H,1-7,10H2/t14-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the adenylate cyclase stimulation


J Med Chem 35: 502-7 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8N95
More data for this
Ligand-Target Pair