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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'davis-taber' and Initial = 'ra'   
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
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50110068
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
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56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50122102
PNG
(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
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72n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374178
PNG
(CHEMBL411120)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc2n(Cc3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H17ClF3N3O2/c25-20-12-16(7-8-22(20)32)23(33)30-29-13-17-4-2-6-21-19(17)9-10-31(21)14-15-3-1-5-18(11-15)24(26,27)28/h1-13,32H,14H2,(H,30,33)/b29-13+
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85n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374184
PNG
(CHEMBL270677)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374179
PNG
(CHEMBL409325)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(cc2)C(C)C)c1OC
Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-24-12-18(11-23(32-3)25(24)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+
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152n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374188
PNG
(CHEMBL270226)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC
Show InChI InChI=1S/C27H29ClN2O5/c1-15-9-16(2)18(4)21(17(15)3)14-35-25-11-19(10-24(33-5)26(25)34-6)13-29-30-27(32)20-7-8-23(31)22(28)12-20/h7-13,31H,14H2,1-6H3,(H,30,32)/b29-13+
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167n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374187
PNG
(CHEMBL256379)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5/c1-29-20-10-16(13-25-26-23(28)17-8-9-19(27)18(24)12-17)11-21(30-2)22(20)31-14-15-6-4-3-5-7-15/h3-13,27H,14H2,1-2H3,(H,26,28)/b25-13+
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185n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374177
PNG
(CHEMBL409729)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-6-7-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-4-3-5-17(8-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+
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204n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374180
PNG
(CHEMBL404071)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(4-9-20(19)29)21(30)28-27-12-14-2-1-3-15(10-14)13-31-18-7-5-17(6-8-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
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241n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374186
PNG
(CHEMBL272122)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-10-16(7-8-20(19)29)21(30)28-27-12-14-3-1-4-15(9-14)13-31-18-6-2-5-17(11-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
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274n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374183
PNG
(CHEMBL269990)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N2O4/c1-32-21-10-14(12-28-29-22(31)16-6-7-19(30)18(24)11-16)5-8-20(21)33-13-15-3-2-4-17(9-15)23(25,26)27/h2-12,30H,13H2,1H3,(H,29,31)/b28-12+
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404n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374182
PNG
(CHEMBL272118)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H17ClN2O3/c22-19-12-17(8-11-20(19)25)21(26)24-23-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,25H,14H2,(H,24,26)/b23-13+
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522n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374181
PNG
(CHEMBL256837)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(6-9-20(19)29)21(30)28-27-12-14-4-7-18(8-5-14)31-13-15-2-1-3-17(10-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
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537n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374185
PNG
(CHEMBL255824)
Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(7-8-20(19)29)21(30)28-27-12-14-3-2-6-18(10-14)31-13-15-4-1-5-17(9-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
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554n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50110055
PNG
(3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-be...)
Show SMILES CC(C)c1ccc(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+
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604n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair