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Compile Data Set for Download or QSAR

Found 21 hits of ph data with Target = 'Calcitonin gene-related peptide (CGRP alpha)'   
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 (CGRP alpha)


(Homo sapiens (human))
BDBM126173
PNG
(US8778957, 87)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4Cc4ccccc4)nc3cc2C1
Show InChI InChI=1S/C34H33N5O2/c40-31-29(15-22-7-2-1-3-8-22)39(21-33(38-31)12-4-5-13-33)20-26-11-10-23-16-24-18-34(19-25(24)17-28(23)36-26)27-9-6-14-35-30(27)37-32(34)41/h1-3,6-11,14,16-17,29H,4-5,12-13,15,18-21H2,(H,38,40)(H,35,37,41)/t29?,34-/m0/s1
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US Patent
0.340 -54.0n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126176
PNG
(US8778957, 84)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)C4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C36H31N5O2/c42-34-32(24-10-5-2-6-11-24)41(22-29(39-34)16-23-8-3-1-4-9-23)21-28-14-13-25-17-26-19-36(20-27(26)18-31(25)38-28)30-12-7-15-37-33(30)40-35(36)43/h1-15,17-18,29,32H,16,19-22H2,(H,39,42)(H,37,40,43)/t29-,32?,36+/m1/s1
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US Patent
0.720 -52.2n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126178
PNG
(US8778957, 76)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CCNCC4)nc3cc2C1
Show InChI InChI=1S/C23H23N5O/c29-22-23(19-2-1-5-25-21(19)27-22)12-16-10-15-3-4-18(14-28-8-6-24-7-9-28)26-20(15)11-17(16)13-23/h1-5,10-11,24H,6-9,12-14H2,(H,25,27,29)/t23-/m0/s1
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0.730 -52.1n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126170
PNG
(US8778957, 3)
Show SMILES CC1(C)CN(Cc2ccc3cc4CC5(Cc4cc3n2)C(=O)Nc2ncccc52)[C@@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C32H31N5O2/c1-31(2)19-37(27(29(38)36-31)13-20-7-4-3-5-8-20)18-24-11-10-21-14-22-16-32(17-23(22)15-26(21)34-24)25-9-6-12-33-28(25)35-30(32)39/h3-12,14-15,27H,13,16-19H2,1-2H3,(H,36,38)(H,33,35,39)/t27-,32?/m0/s1
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0.770 -52.0n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126171
PNG
(US8778957, 11)
Show SMILES Fc1ccc(cc1)C1NCCN(Cc2ccc3cc4C[C@]5(CNc6ncccc56)Cc4cc3n2)C1=O
Show InChI InChI=1S/C29H26FN5O/c30-22-6-3-18(4-7-22)26-28(36)35(11-10-31-26)16-23-8-5-19-12-20-14-29(15-21(20)13-25(19)34-23)17-33-27-24(29)2-1-9-32-27/h1-9,12-13,26,31H,10-11,14-17H2,(H,32,33)/t26?,29-/m1/s1
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US Patent
1.80 -49.9n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126177
PNG
(US8778957, 88)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc2C1
Show InChI InChI=1S/C34H33N5O2/c40-31-29(15-22-7-2-1-3-8-22)39(21-33(38-31)12-4-5-13-33)20-26-11-10-23-16-24-18-34(19-25(24)17-28(23)36-26)27-9-6-14-35-30(27)37-32(34)41/h1-3,6-11,14,16-17,29H,4-5,12-13,15,18-21H2,(H,38,40)(H,35,37,41)/t29-,34+/m1/s1
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US Patent
2.60 -49.0n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
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US Patent
2.90 -48.7n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
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US Patent
4.20 -47.8n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126174
PNG
(US8778957, 64)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CCNCC4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C29H27N5O/c35-28-29(24-7-4-10-31-27(24)33-28)15-21-13-20-8-9-23(32-25(20)14-22(21)16-29)18-34-12-11-30-17-26(34)19-5-2-1-3-6-19/h1-10,13-14,26,30H,11-12,15-18H2,(H,31,33,35)/t26?,29-/m0/s1
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6.60 -46.7n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126175
PNG
(US8778957, 95)
Show SMILES CC1(Cc2ccccc2)N(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC2(CCCC2)NC1=O
Show InChI InChI=1S/C35H35N5O2/c1-33(18-23-8-3-2-4-9-23)31(41)39-34(13-5-6-14-34)22-40(33)21-27-12-11-24-16-25-19-35(20-26(25)17-29(24)37-27)28-10-7-15-36-30(28)38-32(35)42/h2-4,7-12,15-17H,5-6,13-14,18-22H2,1H3,(H,39,41)(H,36,38,42)/t33?,35-/m0/s1
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17 -44.3n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126182
PNG
(US8778957, 8)
Show SMILES CN1C(=O)NC(=O)C11Cc2cc3ccc(CN4C(=O)C(C)(C)Nc5ccccc45)nc3cc2C1
Show InChI InChI=1S/C26H25N5O3/c1-25(2)23(33)31(21-7-5-4-6-19(21)29-25)14-18-9-8-15-10-16-12-26(13-17(16)11-20(15)27-18)22(32)28-24(34)30(26)3/h4-11,29H,12-14H2,1-3H3,(H,28,32,34)
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35 -42.6n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126179
PNG
(US8778957, 69)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)C4c4ccccc4)nc3cc2C1
Show InChI InChI=1S/C33H31N5O2/c39-30-28(21-7-2-1-3-8-21)38(20-32(37-30)12-4-5-13-32)19-25-11-10-22-15-23-17-33(18-24(23)16-27(22)35-25)26-9-6-14-34-29(26)36-31(33)40/h1-3,6-11,14-16,28H,4-5,12-13,17-20H2,(H,37,39)(H,34,36,40)/t28?,33-/m0/s1
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43 -42.0n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126180
PNG
(US8778957, 61)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC1c1ccccc1
Show InChI InChI=1S/C34H35N5O3/c1-33(2,3)42-32(41)39-15-14-38(21-29(39)22-8-5-4-6-9-22)20-26-12-11-23-16-24-18-34(19-25(24)17-28(23)36-26)27-10-7-13-35-30(27)37-31(34)40/h4-13,16-17,29H,14-15,18-21H2,1-3H3,(H,35,37,40)/t29?,34-/m0/s1
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58 -41.3n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126189
PNG
(US8778957, 209)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc2C1
Show InChI InChI=1S/C26H29N5O2/c1-17-24(32)29-25(33)26(17)12-20-10-19-2-3-22(28-23(19)11-21(20)13-26)15-30-7-4-18(5-8-30)14-31-9-6-27-16-31/h2-3,6,9-11,16-18H,4-5,7-8,12-15H2,1H3,(H,29,32,33)
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85 -40.4n/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 (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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150 -38.9n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126190
PNG
(US8778957, 45)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCc5c(C4)[nH]c4ccccc54)nc3cc2C1
Show InChI InChI=1S/C30H25N5O/c36-29-30(24-5-3-10-31-28(24)34-29)14-19-12-18-7-8-21(32-26(18)13-20(19)15-30)16-35-11-9-23-22-4-1-2-6-25(22)33-27(23)17-35/h1-8,10,12-13,33H,9,11,14-17H2,(H,31,34,36)
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180 -38.5n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126187
PNG
(US8778957, 147)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1
Show InChI InChI=1S/C29H31N3O2/c1-19-27(33)31-28(34)29(19)16-23-14-22-7-8-25(30-26(22)15-24(23)17-29)18-32-11-9-21(10-12-32)13-20-5-3-2-4-6-20/h2-8,14-15,19,21H,9-13,16-18H2,1H3,(H,31,33,34)
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1.10E+3 -34.0n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126188
PNG
(US8778957, 184)
Show SMILES CC(C)[C@H]1CN(C)CCN1Cc1ccc2cc3CC4(Cc3cc2n1)C(C)C(=O)NC4=O
Show InChI InChI=1S/C25H32N4O2/c1-15(2)22-14-28(4)7-8-29(22)13-20-6-5-17-9-18-11-25(12-19(18)10-21(17)26-20)16(3)23(30)27-24(25)31/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3,(H,27,30,31)/t16?,22-,25?/m1/s1
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1.70E+3 -32.9n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126183
PNG
(US8778957, 7)
Show SMILES CN1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1
Show InChI InChI=1S/C28H30N4O2/c1-31-27(34)30-26(33)28(31)16-22-14-21-7-8-24(29-25(21)15-23(22)17-28)18-32-11-9-20(10-12-32)13-19-5-3-2-4-6-19/h2-8,14-15,20H,9-13,16-18H2,1H3,(H,30,33,34)
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3.80E+3 -30.9n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126186
PNG
(US8778957, 115)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)OCc4ccccc54)nc3cc2C1
Show InChI InChI=1S/C31H28N4O2/c36-29-30(26-6-3-11-32-28(26)34-29)16-22-14-20-7-8-24(33-27(20)15-23(22)17-30)18-35-12-9-31(10-13-35)25-5-2-1-4-21(25)19-37-31/h1-8,11,14-15H,9-10,12-13,16-19H2,(H,32,34,36)
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UniChem

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US Patent
7.40E+3 -29.3n/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 (CGRP alpha)


(Homo sapiens (human))
BDBM126185
PNG
(US8778957, 114)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc2C1
Show InChI InChI=1S/C32H28N4O3/c37-27-18-31(39-28-6-2-1-4-24(27)28)9-12-36(13-10-31)19-23-8-7-20-14-21-16-32(17-22(21)15-26(20)34-23)25-5-3-11-33-29(25)35-30(32)38/h1-8,11,14-15H,9-10,12-13,16-19H2,(H,33,35,38)
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PC cid
PC sid
UniChem
US Patent
1.50E+4 -27.5n/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