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Compile Data Set for Download or QSAR

Found 700 hits with Last Name = 'christopher' and Initial = 'ja'   
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/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391716
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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 0.0200n/an/an/an/an/an/an/an/a



Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391716
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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 0.0200n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391716
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391727
PNG
(N-[(2R)-1-({(2S)-3-{1-[2- | US10300056, Example 12...)
Show SMILES CN(C)CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391727
PNG
(N-[(2R)-1-({(2S)-3-{1-[2- | US10300056, Example 12...)
Show SMILES CN(C)CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM50539955
PNG
(CHEMBL4638938)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C38H48N12O4/c1-25-21-26(22-27-24-42-46-33(25)27)23-31(44-37(53)49-15-9-29(10-16-49)50-32-6-4-12-41-34(32)45-38(50)54)35(51)43-30(5-2-3-11-39)36(52)48-19-17-47(18-20-48)28-7-13-40-14-8-28/h4,6-8,12-14,21-22,24,29-31H,2-3,5,9-11,15-20,23,39H2,1H3,(H,42,46)(H,43,51)(H,44,53)(H,41,45,54)/t30-,31+/m0/s1
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391726
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM50184069
PNG
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
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 0.0316n/an/an/an/an/an/an/an/a



Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391726
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391726
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391719
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 4 | ...)
Show SMILES CCCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391719
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 4 | ...)
Show SMILES CCCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391722
PNG
(N-[(2R)-1-({(2S)-3-(1- | US10300056, Example 7 | U...)
Show SMILES CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391723
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391722
PNG
(N-[(2R)-1-({(2S)-3-(1- | US10300056, Example 7 | U...)
Show SMILES CCN1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312053
PNG
(5-{1'-[(2R)-3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc([nH]2)C(O)=O)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM311886
PNG
(N-[(2R)-1-[4-(1H-imidazol-2-yl)-1,4'-bipiperidin-1...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2ncc[nH]2)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391725
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 10 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391720
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 5...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391725
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 10 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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 0.0630n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312050
PNG
(US10166226, Example 6 | ethyl 5-{1'-[(2R)-3-(7-met...)
Show SMILES CCOC(=O)c1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391720
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 5...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391725
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 10 |...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391724
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 9...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
Show InChI InChI=1S/C40H49Br2N9O5/c41-31-21-27(22-32(42)36(31)52)24-34(47-39(55)50-15-9-30(10-16-50)51-25-28-3-1-2-4-33(28)46-40(51)56)37(53)45-35(23-26-5-11-43-12-6-26)38(54)49-19-17-48(18-20-49)29-7-13-44-14-8-29/h1-4,7-8,13-14,21-22,26,30,34-35,43,52H,5-6,9-12,15-20,23-25H2,(H,45,53)(H,46,56)(H,47,55)/t34-,35+/m1/s1
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391724
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 9...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
Show InChI InChI=1S/C40H49Br2N9O5/c41-31-21-27(22-32(42)36(31)52)24-34(47-39(55)50-15-9-30(10-16-50)51-25-28-3-1-2-4-33(28)46-40(51)56)37(53)45-35(23-26-5-11-43-12-6-26)38(54)49-19-17-48(18-20-49)29-7-13-44-14-8-29/h1-4,7-8,13-14,21-22,26,30,34-35,43,52H,5-6,9-12,15-20,23-25H2,(H,45,53)(H,46,56)(H,47,55)/t34-,35+/m1/s1
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391729
PNG
(3,5-dibromo-Nalpha-[(2'-oxo- | US10300056, Example...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
Show InChI InChI=1S/C38H45Br2N9O6/c39-28-20-25(21-29(40)32(28)50)23-30(45-36(53)49-14-7-38(8-15-49)27-2-1-9-43-33(27)46-37(54)55-38)34(51)44-31(22-24-3-10-41-11-4-24)35(52)48-18-16-47(17-19-48)26-5-12-42-13-6-26/h1-2,5-6,9,12-13,20-21,24,30-31,41,50H,3-4,7-8,10-11,14-19,22-23H2,(H,44,51)(H,45,53)(H,43,46,54)/t30-,31+/m1/s1
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM311913
PNG
(N-[(2R)-1-[4-(4-methyl-1H-imidazol-5-yl)-1,4'-bipi...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391718
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 3 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391729
PNG
(3,5-dibromo-Nalpha-[(2'-oxo- | US10300056, Example...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
Show InChI InChI=1S/C38H45Br2N9O6/c39-28-20-25(21-29(40)32(28)50)23-30(45-36(53)49-14-7-38(8-15-49)27-2-1-9-43-33(27)46-37(54)55-38)34(51)44-31(22-24-3-10-41-11-4-24)35(52)48-18-16-47(17-19-48)26-5-12-42-13-6-26/h1-2,5-6,9,12-13,20-21,24,30-31,41,50H,3-4,7-8,10-11,14-19,22-23H2,(H,44,51)(H,45,53)(H,43,46,54)/t30-,31+/m1/s1
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391718
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 3 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391718
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 3 | ...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391724
PNG
(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 9...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br |r|
Show InChI InChI=1S/C40H49Br2N9O5/c41-31-21-27(22-32(42)36(31)52)24-34(47-39(55)50-15-9-30(10-16-50)51-25-28-3-1-2-4-33(28)46-40(51)56)37(53)45-35(23-26-5-11-43-12-6-26)38(54)49-19-17-48(18-20-49)29-7-13-44-14-8-29/h1-4,7-8,13-14,21-22,26,30,34-35,43,52H,5-6,9-12,15-20,23-25H2,(H,45,53)(H,46,56)(H,47,55)/t34-,35+/m1/s1
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391728
PNG
(3-(4-{(2S)-2-{[(2R)-3-(7- | US10300056, Example 13...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)CC([O-])=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM50539954
PNG
(CHEMBL4636143)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](Cc2ccncc2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C40H44N12O4/c1-26-21-28(22-29-25-44-48-35(26)29)24-32(46-39(55)51-15-8-31(9-16-51)52-34-3-2-10-43-36(34)47-40(52)56)37(53)45-33(23-27-4-11-41-12-5-27)38(54)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-7,10-14,21-22,25,31-33H,8-9,15-20,23-24H2,1H3,(H,44,48)(H,45,53)(H,46,55)(H,43,47,56)/t32-,33+/m1/s1
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Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...

J Med Chem 63: 7906-7920 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01003
BindingDB Entry DOI: 10.7270/Q2NK3JKR
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391728
PNG
(3-(4-{(2S)-2-{[(2R)-3-(7- | US10300056, Example 13...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)CC([O-])=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391717
PNG
(US10300056, Example 2 | US10888561, Example 2 | te...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391721
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 6 | ...)
Show SMILES CCCCC(=O)N1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended i...

US Patent US10888561 (2021)


BindingDB Entry DOI: 10.7270/Q28S4T1X
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312002
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(4-methy...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312052
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(5-methy...)
Show SMILES Cc1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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 0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391717
PNG
(US10300056, Example 2 | US10888561, Example 2 | te...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
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 0.100n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM391721
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 6 | ...)
Show SMILES CCCCC(=O)N1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1 |r|
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 0.100n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

Bioorg Med Chem Lett 18: 3641-5 (2008)


BindingDB Entry DOI: 10.7270/Q2T155ZX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312049
PNG
(4-(7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-N-{(2R...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccc(F)cc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r|
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 0.126n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM311965
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(1...)
Show SMILES CCCn1ccnc1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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 0.158n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM312051
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(4...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc[nH]2)cc2cn[nH]c12 |r|
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 0.158n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...

US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...

J Med Chem 63: 1528-1543 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01787
BindingDB Entry DOI: 10.7270/Q2474F8R
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
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 0.398n/an/an/an/an/an/an/an/a



Sosei Heptares

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...

J Med Chem 63: 1528-1543 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01787
BindingDB Entry DOI: 10.7270/Q2474F8R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
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 0.501n/an/an/an/an/an/an/an/a



Research Triangle Institute



Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...

J Med Chem 50: 3686-95 (2007)


BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
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 0.501n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...

US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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