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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'pickworth' and Initial = 'm'   
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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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))		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)
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
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
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
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))		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))		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))		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
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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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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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))		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
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
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))		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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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))		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 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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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))		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))		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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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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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))		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 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))		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))		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
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))		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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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))		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
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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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))		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
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))		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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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
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))		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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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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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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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
Cytochrome P450 2D6


(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
Inhibition of CYP2D6 (unknown origin)

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
Cytochrome P450 2C9


(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
Inhibition of CYP2C9 (unknown origin)

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
Cytochrome P450 2C19


(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
Inhibition of CYP2C19 (unknown origin)

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
Cytochrome P450 1A2


(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
Inhibition of CYP1A2 (unknown origin)

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
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