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PubMed code 19467597

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268472
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H45N7O4/c1-24-19-25(20-27-22-36-38-32(24)27)21-31(33(43)40-15-9-28(10-16-40)39-13-5-2-6-14-39)46-35(45)41-17-11-29(12-18-41)42-23-26-7-3-4-8-30(26)37-34(42)44/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,38)(H,37,44)/t31-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268471
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H44FN7O4/c1-23-18-24(19-26-21-37-39-31(23)26)20-30(33(44)41-14-8-27(9-15-41)40-12-3-2-4-13-40)47-35(46)42-16-10-28(11-17-42)43-22-25-6-5-7-29(36)32(25)38-34(43)45/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,39)(H,38,45)/t30-/m1/s1
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n/an/a 0.0110n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268474
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h3-4,7-8,19-20,22-23,26,29,32H,2,5-6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268481
PNG
((R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)C2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-15-40(16-18-41)29-8-3-2-4-9-29)46-36(45)42-13-11-26(12-14-42)30-22-27-7-5-6-10-31(27)38-34(30)43/h5-7,10,19-20,22-23,26,29,32H,2-4,8-9,11-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268473
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H44FN7O4/c1-23-17-24(18-26-21-37-39-32(23)26)19-31(33(44)41-13-7-28(8-14-41)40-11-3-2-4-12-40)47-35(46)42-15-9-29(10-16-42)43-22-25-5-6-27(36)20-30(25)38-34(43)45/h5-6,17-18,20-21,28-29,31H,2-4,7-16,19,22H2,1H3,(H,37,39)(H,38,45)/t31-/m1/s1
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n/an/a 0.0220n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268480
PNG
((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-...)
Show SMILES CN1CCC2(CC1)CCN(CC2)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1
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n/an/a 0.0440n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268479
PNG
((R)-1-(4-(5,6-dihydropyridin-1(2H)-yl)piperidin-1-...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC=CC2)cc2cn[nH]c12 |r,c:41|
Show InChI InChI=1S/C36H42N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h2-5,7-8,19-20,22-23,26,29,32H,6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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n/an/a 0.0530n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268475
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3cccc(F)c3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H43FN6O4/c1-23-18-24(19-27-22-38-40-32(23)27)20-31(35(45)42-16-10-28(11-17-42)41-12-3-2-4-13-41)47-36(46)43-14-8-25(9-15-43)29-21-26-6-5-7-30(37)33(26)39-34(29)44/h5-7,18-19,21-22,25,28,31H,2-4,8-17,20H2,1H3,(H,38,40)(H,39,44)/t31-/m1/s1
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n/an/a 0.0570n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268482
PNG
((R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(pyrid...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1
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n/an/a 0.0630n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268477
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H45N7O4/c1-25-20-26(21-28-23-37-39-33(25)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)47-36(46)42-18-12-30(13-19-42)43-24-31(38-35(43)45)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23-24,29-30,32H,3,6-7,10-19,22H2,1H3,(H,37,39)(H,38,45)/t32-/m1/s1
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n/an/a 0.0680n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268483
PNG
((R)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(7-meth...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H37FN6O4/c1-23-18-24(19-27-22-38-40-33(23)27)20-32(35(45)42-16-14-41(15-17-42)29-8-6-28(37)7-9-29)47-36(46)43-12-10-25(11-13-43)30-21-26-4-2-3-5-31(26)39-34(30)44/h2-9,18-19,21-22,25,32H,10-17,20H2,1H3,(H,38,40)(H,39,44)/t32-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268476
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3cn2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H44N6O3/c1-25-19-26(20-30-24-38-39-34(25)30)21-33(35(43)41-17-11-31(12-18-41)40-13-5-2-6-14-40)45-36(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-29(28)23-37-32/h3-4,7-8,19-20,22-24,27,31,33H,2,5-6,9-18,21H2,1H3,(H,38,39)/t33-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50268478
PNG
((R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(piperidi...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C31H35N5O4/c1-20-15-21(16-24-19-32-34-28(20)24)17-27(30(38)35-11-5-2-6-12-35)40-31(39)36-13-9-22(10-14-36)25-18-23-7-3-4-8-26(23)33-29(25)37/h3-4,7-8,15-16,18-19,22,27H,2,5-6,9-14,17H2,1H3,(H,32,34)(H,33,37)/t27-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production

Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%