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5 similar compounds to monomer 50301969

Compile data set for download or QSAR
Wt: 425.5
BDBM126181
Wt: 446.4
BDBM50315399
Wt: 473.5
BDBM50315405
Wt: 487.5
BDBM50315407
Wt: 501.5
BDBM50315409

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 126181,50315399,50315405,50315407,50315409   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315409
PNG
(2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1
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0.0720n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315407
PNG
(2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro...)
Show SMILES CC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C30H25N5O2/c1-29-14-25(36)33-22-5-2-6-24(26(22)29)35(16-29)15-20-8-7-17-10-18-12-30(13-19(18)11-23(17)32-20)21-4-3-9-31-27(21)34-28(30)37/h2-11H,12-16H2,1H3,(H,33,36)(H,31,34,37)/t29?,30-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315399
PNG
((R)-2-((2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl)...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4C(=O)CCc5ccccc45)nc3cc2C1
Show InChI InChI=1S/C28H22N4O2/c33-25-10-8-17-4-1-2-6-24(17)32(25)16-21-9-7-18-12-19-14-28(15-20(19)13-23(18)30-21)22-5-3-11-29-26(22)31-27(28)34/h1-7,9,11-13H,8,10,14-16H2,(H,29,31,34)/t28-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM126181
PNG
(US8778957, 27)
Show SMILES CN1CC2CN(Cc3ccc4cc5CC6(Cc5cc4n3)C(=O)Nc3ncccc63)CC2C1
Show InChI InChI=1S/C26H27N5O/c1-30-11-19-13-31(14-20(19)12-30)15-21-5-4-16-7-17-9-26(10-18(17)8-23(16)28-21)22-3-2-6-27-24(22)29-25(26)32/h2-8,19-20H,9-15H2,1H3,(H,27,29,32)
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US Patent
150 -9.30n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)


BindingDB Entry DOI: 10.7270/Q29022G8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315407
PNG
(2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro...)
Show SMILES CC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C30H25N5O2/c1-29-14-25(36)33-22-5-2-6-24(26(22)29)35(16-29)15-20-8-7-17-10-18-12-30(13-19(18)11-23(17)32-20)21-4-3-9-31-27(21)34-28(30)37/h2-11H,12-16H2,1H3,(H,33,36)(H,31,34,37)/t29?,30-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315409
PNG
(2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315407
PNG
(2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro...)
Show SMILES CC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C30H25N5O2/c1-29-14-25(36)33-22-5-2-6-24(26(22)29)35(16-29)15-20-8-7-17-10-18-12-30(13-19(18)11-23(17)32-20)21-4-3-9-31-27(21)34-28(30)37/h2-11H,12-16H2,1H3,(H,33,36)(H,31,34,37)/t29?,30-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315409
PNG
(2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23
Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315399
PNG
((R)-2-((2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl)...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4C(=O)CCc5ccccc45)nc3cc2C1
Show InChI InChI=1S/C28H22N4O2/c33-25-10-8-17-4-1-2-6-24(17)32(25)16-21-9-7-18-12-19-14-28(15-20(19)13-23(18)30-21)22-5-3-11-29-26(22)31-27(28)34/h1-7,9,11-13H,8,10,14-16H2,(H,29,31,34)/t28-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315399
PNG
((R)-2-((2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl)...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4C(=O)CCc5ccccc45)nc3cc2C1
Show InChI InChI=1S/C28H22N4O2/c33-25-10-8-17-4-1-2-6-24(17)32(25)16-21-9-7-18-12-19-14-28(15-20(19)13-23(18)30-21)22-5-3-11-29-26(22)31-27(28)34/h1-7,9,11-13H,8,10,14-16H2,(H,29,31,34)/t28-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair