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Compile Data Set for Download or QSAR

Found 16904 hits with Last Name = 'mas' and Initial = 'j'   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50246593
PNG
(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
Show SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
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 0.00520n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to wild type human PNP

Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50102711
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1
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 0.00600n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity on agonist (U50,488) stimulated [35S]GTP-gamma-S, binding in cloned opioid receptor kappa 1

J Med Chem 44: 2687-90 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50246590
PNG
(7-(((3R,4S)-3-hydroxy-4-(propylthiomethyl)pyrrolid...)
Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C15H22N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,16,20H,2-3,5-8H2,1H3,(H,17,18,21)/t11-,12+/m1/s1
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 0.00980n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to wild type human PNP

Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM22109
PNG
(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
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 0.0107n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to wild type human PNP

Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM22109
PNG
(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
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 0.0110n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assay

J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
BindingDB Entry DOI: 10.7270/Q2VQ32H9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mu-type opioid receptor


(GUINEA PIG)		BDBM50064515
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1
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 0.0130n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...

J Med Chem 41: 1980-90 (1998)


Article DOI: 10.1021/jm980063g
BindingDB Entry DOI: 10.7270/Q2K35SSN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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 0.0196n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to wild type human PNP

Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50102711
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1
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 0.0200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes.

J Med Chem 44: 2687-90 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M58
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



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))		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
Mu-type opioid receptor


(GUINEA PIG)		BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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 0.0210n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...

J Med Chem 41: 1980-90 (1998)


Article DOI: 10.1021/jm980063g
BindingDB Entry DOI: 10.7270/Q2K35SSN
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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 0.0250n/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))		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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 0.0250n/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 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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 0.0251n/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
Mu-type opioid receptor


(GUINEA PIG)		BDBM50064518
PNG
(3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1
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 0.0260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...

J Med Chem 41: 1980-90 (1998)


Article DOI: 10.1021/jm980063g
BindingDB Entry DOI: 10.7270/Q2K35SSN
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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 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
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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 0.0320n/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))		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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 0.0380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes

J Med Chem 44: 2687-90 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor kappa 1 in Guinea pig Caudate stimulated by U69,593

J Med Chem 41: 5188-97 (1999)


Article DOI: 10.1021/jm980511k
BindingDB Entry DOI: 10.7270/Q2P26ZT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50064521
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1
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 0.0390n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...

J Med Chem 41: 1980-90 (1998)


Article DOI: 10.1021/jm980063g
BindingDB Entry DOI: 10.7270/Q2K35SSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50291970
PNG
(3-[(3S,4S)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...)
Show SMILES C[C@@H]1CN(C\C=C\c2ccccc2)CC[C@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor mu 1 in Guinea pig Caudate stimulated by DAMGO

J Med Chem 41: 5188-97 (1999)


Article DOI: 10.1021/jm980511k
BindingDB Entry DOI: 10.7270/Q2P26ZT4
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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 0.0398n/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))		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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 0.0400n/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))		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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 0.0400n/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))		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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 0.0400n/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))		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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 0.0400n/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))		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))		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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 0.0400n/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
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50184183
PNG
(3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1
Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)
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 0.0450n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay

J Med Chem 54: 4283-311 (2011)


Article DOI: 10.1021/jm200371q
BindingDB Entry DOI: 10.7270/Q23N23RZ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50080514
PNG
(3-[(R)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m1/s1
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 0.0470n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa

J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1
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 0.0530n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain

J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
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 0.0579n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to wild type human PNP

Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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 0.0630n/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))		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
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



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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 0.0630n/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))		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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 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 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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 0.0631n/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
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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 0.0660n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assay

J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
BindingDB Entry DOI: 10.7270/Q2VQ32H9
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))		BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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 0.0660n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assay

J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
BindingDB Entry DOI: 10.7270/Q2VQ32H9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50183152
PNG
(CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...)
Show SMILES CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3
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 0.0700n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT

Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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 0.0700n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1

J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50183152
PNG
(CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...)
Show SMILES CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3
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 0.0700n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT

Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
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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 0.0790n/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))		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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 0.0790n/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
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