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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'civiello' and Initial = 'r'   
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


(Homo sapiens (Human))
BDBM50430060
PNG
(CHEMBL2336421)
Show SMILES CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H48N8O3/c1-2-26-20-25(21-28-23-37-40-33(26)28)22-32(34(45)42-16-10-29(11-17-42)41-14-6-3-7-15-41)39-35(46)43-18-12-30(13-19-43)44-24-27-8-4-5-9-31(27)38-36(44)47/h4-5,8-9,20-21,23,29-30,32H,2-3,6-7,10-19,22,24H2,1H3,(H,37,40)(H,38,47)(H,39,46)
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50273292
PNG
((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-i...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1
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0.00730n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430061
PNG
(CHEMBL2336422)
Show SMILES Clc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C34H43ClN8O3/c35-28-19-23(18-25-21-36-39-31(25)28)20-30(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-29(24)37-34(43)46/h2-3,6-7,18-19,21,26-27,30H,1,4-5,8-17,20,22H2,(H,36,39)(H,37,46)(H,38,45)
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0.0110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50273292
PNG
((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-i...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1
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0.0120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268484
PNG
((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50268484
PNG
((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430062
PNG
(CHEMBL2336411)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2[nH]nnc12 |r|
Show InChI InChI=1S/C34H45N9O3/c1-23-19-24(20-29-31(23)38-39-37-29)21-30(32(44)41-15-9-26(10-16-41)40-13-5-2-6-14-40)36-33(45)42-17-11-27(12-18-42)43-22-25-7-3-4-8-28(25)35-34(43)46/h3-4,7-8,19-20,26-27,30H,2,5-6,9-18,21-22H2,1H3,(H,35,46)(H,36,45)(H,37,38,39)/t30-/m1/s1
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0.0150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430066
PNG
(CHEMBL2336416)
Show SMILES Brc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
Show InChI InChI=1S/C34H42BrN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430058
PNG
(CHEMBL2336418)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r|
Show InChI InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/m1/s1
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0.0320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430057
PNG
(CHEMBL2336417)
Show SMILES Clc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
Show InChI InChI=1S/C34H42ClN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1
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0.0390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430059
PNG
(CHEMBL2336419)
Show SMILES CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C37H50N8O3/c1-3-27-21-26(22-31-25(2)40-41-34(27)31)23-33(35(46)43-17-11-29(12-18-43)42-15-7-4-8-16-42)39-36(47)44-19-13-30(14-20-44)45-24-28-9-5-6-10-32(28)38-37(45)48/h5-6,9-10,21-22,29-30,33H,3-4,7-8,11-20,23-24H2,1-2H3,(H,38,48)(H,39,47)(H,40,41)
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0.0480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430065
PNG
(CHEMBL2336415)
Show SMILES Ic1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
Show InChI InChI=1S/C34H42IN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1
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0.0550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430063
PNG
(CHEMBL2336412)
Show SMILES Brc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C34H42BrN7O5/c35-26-20-28-30(47-34(46)38-28)19-23(26)18-29(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-22-6-2-3-7-27(22)36-33(42)45/h2-3,6-7,19-20,24-25,29H,1,4-5,8-18,21H2,(H,36,45)(H,37,44)(H,38,46)/t29-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382794
PNG
(CHEMBL2023191)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C30H31ClN8O4/c1-17-11-18(12-20-16-33-36-26(17)20)13-24(22-14-19(15-25(31)34-22)28(40)37(2)3)43-30(42)38-9-6-21(7-10-38)39-23-5-4-8-32-27(23)35-29(39)41/h4-5,8,11-12,14-16,21,24H,6-7,9-10,13H2,1-3H3,(H,33,36)(H,32,35,41)
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production in presence of plasma


Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430067
PNG
(CHEMBL2336420)
Show SMILES CC(C)c1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C37H50N8O3/c1-25(2)31-21-26(20-28-23-38-41-34(28)31)22-33(35(46)43-16-10-29(11-17-43)42-14-6-3-7-15-42)40-36(47)44-18-12-30(13-19-44)45-24-27-8-4-5-9-32(27)39-37(45)48/h4-5,8-9,20-21,23,25,29-30,33H,3,6-7,10-19,22,24H2,1-2H3,(H,38,41)(H,39,48)(H,40,47)
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50273291
PNG
((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(1H-indazol-5-...)
Show SMILES O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C34H44N8O3/c43-32(40-16-10-27(11-17-40)39-14-4-1-5-15-39)31(21-24-8-9-30-26(20-24)22-35-38-30)37-33(44)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)36-34(42)45/h2-3,6-9,20,22,27-28,31H,1,4-5,10-19,21,23H2,(H,35,38)(H,36,45)(H,37,44)/t31-/m1/s1
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PubMed
0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387508
PNG
(CHEMBL2059853)
Show SMILES O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C34H43N7O5/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(20-23-8-9-28-30(21-23)46-34(45)37-28)36-32(43)40-18-12-26(13-19-40)41-22-24-6-2-3-7-27(24)35-33(41)44/h2-3,6-9,21,25-26,29H,1,4-5,10-20,22H2,(H,35,44)(H,36,43)(H,37,45)/t29-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430064
PNG
(CHEMBL2336413)
Show SMILES Clc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Show InChI InChI=1S/C34H42ClN7O5/c35-26-20-28-30(47-34(46)38-28)19-23(26)18-29(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-22-6-2-3-7-27(22)36-33(42)45/h2-3,6-7,19-20,24-25,29H,1,4-5,8-18,21H2,(H,36,45)(H,37,44)(H,38,46)/t29-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387513
PNG
(CHEMBL2059880)
Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C34H42N6O3S/c41-32(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-31-11-5-2-8-27(24)31)36-33(42)39-20-14-26(15-21-39)40-30-10-4-3-9-28(30)35-34(40)43/h2-5,8-11,23,25-26,29H,1,6-7,12-22H2,(H,35,43)(H,36,42)/t29-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387510
PNG
(CHEMBL2059878)
Show SMILES O=C(N[C@H](Cc1ccc2nn[nH]c2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C33H43N9O3/c43-31(40-16-10-25(11-17-40)39-14-4-1-5-15-39)30(21-23-8-9-28-29(20-23)37-38-36-28)35-32(44)41-18-12-26(13-19-41)42-22-24-6-2-3-7-27(24)34-33(42)45/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,34,45)(H,35,44)(H,36,37,38)/t30-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387512
PNG
(CHEMBL2059794)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1Br |r|
Show InChI InChI=1S/C32H40Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-14-8-22(9-15-38)37-12-4-1-5-13-37)36-31(43)39-16-10-23(11-17-39)40-28-7-3-2-6-26(28)35-32(40)44/h2-3,6-7,18-19,22-23,27,41H,1,4-5,8-17,20H2,(H,35,44)(H,36,43)/t27-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387509
PNG
(CHEMBL2059877)
Show SMILES O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387492
PNG
(CHEMBL2059790)
Show SMILES Oc1ccc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1 |r|
Show InChI InChI=1S/C32H42N6O4/c39-26-10-8-23(9-11-26)22-28(30(40)36-18-12-24(13-19-36)35-16-4-1-5-17-35)34-31(41)37-20-14-25(15-21-37)38-29-7-3-2-6-27(29)33-32(38)42/h2-3,6-11,24-25,28,39H,1,4-5,12-22H2,(H,33,42)(H,34,41)/t28-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382791
PNG
(CHEMBL2023188)
Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C33H33ClN6O4/c1-19-12-20(13-24-18-35-38-30(19)24)14-28(27-16-23(17-29(34)36-27)32(42)39(2)3)44-33(43)40-10-8-21(9-11-40)25-15-22-6-4-5-7-26(22)37-31(25)41/h4-7,12-13,15-18,21,28H,8-11,14H2,1-3H3,(H,35,38)(H,37,41)
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production in presence of plasma


Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203626
PNG
(CHEMBL247557 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.16,-28.04,;4.15,-29.22,;5.67,-28.95,;6.66,-30.13,;8.18,-29.86,;8.7,-28.41,;7.71,-27.23,;8.24,-25.78,;7.25,-24.61,;5.73,-24.88,;5.21,-26.33,;6.2,-27.51,;6.14,-31.58,;7.13,-32.75,;6.76,-34.25,;5.33,-34.83,;8.07,-35.06,;9.24,-34.07,;10.78,-33.96,;11.77,-35.15,;13.28,-34.88,;13.8,-33.43,;14.27,-36.05,;13.75,-37.5,;14.74,-38.68,;12.23,-37.77,;11.24,-36.59,;9.72,-36.85,;11.16,-32.48,;12.53,-31.75,;12.58,-30.21,;11.26,-29.38,;9.9,-30.11,;9.85,-31.65,;8.67,-32.64,)|
Show InChI InChI=1S/C29H32ClN5/c1-5-15-33(16-13-23-10-7-6-8-11-23)19-26-22(4)32-29-34(26)25-12-9-14-31-28(25)35(29)27-21(3)17-20(2)18-24(27)30/h6-12,14,17-18H,5,13,15-16,19H2,1-4H3
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5.90n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203611
PNG
(CHEMBL393044 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.3,-32.74,;17.29,-33.92,;18.81,-33.65,;19.8,-34.83,;21.32,-34.56,;21.84,-33.11,;23.23,-32.46,;22.58,-31.07,;21.19,-31.72,;19.28,-36.27,;20.27,-37.45,;19.9,-38.95,;18.47,-39.53,;21.21,-39.76,;22.39,-38.77,;23.93,-38.66,;24.92,-39.84,;26.42,-39.57,;26.94,-38.13,;27.41,-40.75,;26.89,-42.2,;27.88,-43.38,;25.37,-42.47,;24.38,-41.29,;22.86,-41.55,;24.3,-37.18,;25.67,-36.45,;25.73,-34.9,;24.41,-34.08,;23.04,-34.81,;22.99,-36.35,;21.81,-37.34,)|
Show InChI InChI=1S/C26H32ClN5/c1-5-12-30(15-20-8-6-9-20)16-23-19(4)29-26-31(23)22-10-7-11-28-25(22)32(26)24-18(3)13-17(2)14-21(24)27/h7,10-11,13-14,20H,5-6,8-9,12,15-16H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203587
PNG
(CHEMBL392655 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.66,-44.12,;18.18,-43.85,;19.17,-45.03,;20.68,-44.76,;21.21,-43.31,;20.22,-42.13,;20.74,-40.69,;19.75,-39.51,;18.24,-39.78,;17.71,-41.24,;18.71,-42.41,;18.65,-46.48,;19.64,-47.66,;19.27,-49.15,;17.84,-49.73,;20.57,-49.96,;21.75,-48.98,;23.29,-48.87,;24.28,-50.05,;25.79,-49.78,;26.31,-48.33,;26.78,-50.95,;26.25,-52.41,;27.24,-53.59,;24.73,-52.67,;23.75,-51.49,;22.23,-51.76,;23.67,-47.38,;25.03,-46.66,;25.09,-45.11,;23.77,-44.29,;22.41,-45.01,;22.35,-46.55,;21.17,-47.55,)|
Show InChI InChI=1S/C28H30ClN5/c1-5-32(15-13-22-10-7-6-8-11-22)18-25-21(4)31-28-33(25)24-12-9-14-30-27(24)34(28)26-20(3)16-19(2)17-23(26)29/h6-12,14,16-17H,5,13,15,18H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387498
PNG
(CHEMBL2059798)
Show SMILES O=C(N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C36H44N6O3/c43-34(40-21-15-28(16-22-40)39-19-6-1-7-20-39)32(25-27-11-8-10-26-9-2-3-12-30(26)27)38-35(44)41-23-17-29(18-24-41)42-33-14-5-4-13-31(33)37-36(42)45/h2-5,8-14,28-29,32H,1,6-7,15-25H2,(H,37,45)(H,38,44)/t32-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203625
PNG
(CHEMBL246501 | ethyl-[2-methyl-8-(2,4,6-trimethyl-...)
Show SMILES CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(38.71,1.01,;38.18,-.44,;36.66,-.71,;35.88,.62,;34.34,.6,;33.55,1.92,;34.31,3.25,;33.52,4.58,;31.98,4.56,;31.23,3.2,;32.02,1.89,;36.14,-2.15,;37.13,-3.33,;36.76,-4.83,;35.34,-5.41,;38.07,-5.64,;39.25,-4.65,;40.79,-4.54,;41.78,-5.72,;43.28,-5.45,;43.81,-4.01,;44.27,-6.63,;43.75,-8.08,;44.74,-9.26,;42.23,-8.35,;41.24,-7.17,;39.73,-7.43,;41.16,-3.06,;42.53,-2.33,;42.59,-.78,;41.27,.04,;39.91,-.69,;39.85,-2.23,;38.67,-3.22,)|
Show InChI InChI=1S/C29H33N5/c1-6-32(16-14-24-11-8-7-9-12-24)19-26-23(5)31-29-33(26)25-13-10-15-30-28(25)34(29)27-21(3)17-20(2)18-22(27)4/h7-13,15,17-18H,6,14,16,19H2,1-5H3
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7.80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203598
PNG
(CHEMBL397389 | cyclobutylmethyl-[2-methyl-8-(2,4,6...)
Show SMILES CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(24.76,4.65,;23.25,4.38,;22.72,2.93,;21.2,2.66,;20.42,3.99,;18.88,3.97,;17.77,5.05,;16.7,3.94,;17.8,2.87,;20.68,1.22,;21.67,.04,;21.3,-1.46,;19.88,-2.04,;22.61,-2.27,;23.79,-1.28,;25.33,-1.17,;26.32,-2.35,;27.82,-2.08,;28.35,-.64,;28.81,-3.26,;28.29,-4.71,;29.28,-5.89,;26.77,-4.98,;25.78,-3.8,;24.27,-4.06,;25.7,.32,;27.07,1.04,;27.13,2.59,;25.81,3.41,;24.45,2.68,;24.39,1.14,;23.21,.15,)|
Show InChI InChI=1S/C27H35N5/c1-6-13-30(16-22-9-7-10-22)17-24-21(5)29-27-31(24)23-11-8-12-28-26(23)32(27)25-19(3)14-18(2)15-20(25)4/h8,11-12,14-15,22H,6-7,9-10,13,16-17H2,1-5H3
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8.20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203621
PNG
(8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-(3-phe...)
Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(C1)c1ccccc1 |w:26.32,(5.93,-4.83,;7.36,-4.25,;8.67,-5.07,;9.84,-4.08,;11.38,-3.97,;12.37,-5.15,;13.88,-4.88,;14.4,-3.43,;14.87,-6.05,;14.34,-7.51,;15.34,-8.69,;12.83,-7.78,;11.84,-6.6,;10.32,-6.86,;11.76,-2.48,;13.13,-1.76,;13.18,-.21,;11.81,.68,;10.5,-.12,;10.45,-1.66,;9.26,-2.65,;7.73,-2.76,;6.74,-1.58,;7.26,-.13,;8.73,.29,;8.78,1.83,;7.34,2.35,;6.39,1.14,;6.91,3.83,;7.99,4.94,;7.56,6.4,;6.07,6.78,;5,5.67,;5.43,4.19,)|
Show InChI InChI=1S/C28H28ClN5/c1-18-14-19(2)26(23(29)15-18)34-27-24(10-7-12-30-27)33-25(20(3)31-28(33)34)17-32-13-11-22(16-32)21-8-5-4-6-9-21/h4-10,12,14-15,22H,11,13,16-17H2,1-3H3
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8.40n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203590
PNG
(CHEMBL395929 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(6.49,-8.21,;7.48,-9.39,;8.99,-9.12,;9.99,-10.29,;11.5,-10.02,;12.03,-8.57,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.09,-14.42,;8.66,-14.99,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.13,-13.6,;17.6,-16.22,;17.07,-17.67,;18.06,-18.85,;15.56,-17.94,;14.56,-16.76,;13.05,-17.03,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.23,-10.27,;13.17,-11.81,;11.99,-12.81,)|
Show InChI InChI=1S/C25H30ClN5/c1-5-11-29(14-19-8-9-19)15-22-18(4)28-25-30(22)21-7-6-10-27-24(21)31(25)23-17(3)12-16(2)13-20(23)26/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430068
PNG
(CHEMBL2336414)
Show SMILES O=C(N[C@H](Cc1cc(C#N)c2[nH]c(=O)oc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C35H42N8O5/c36-21-25-18-23(20-30-31(25)39-35(47)48-30)19-29(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-28(24)37-34(43)46/h2-3,6-7,18,20,26-27,29H,1,4-5,8-17,19,22H2,(H,37,46)(H,38,45)(H,39,47)/t29-/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203609
PNG
(CHEMBL247151 | allyl-[8-(2-chloro-4,6-dimethyl-phe...)
Show SMILES CCCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.99,4.06,;-10,2.89,;-8.48,3.16,;-7.49,1.98,;-5.97,2.25,;-5.45,3.7,;-3.93,3.97,;-8.01,.53,;-7.02,-.65,;-7.39,-2.14,;-8.82,-2.72,;-6.08,-2.95,;-4.91,-1.97,;-3.37,-1.86,;-2.38,-3.04,;-.87,-2.77,;-.35,-1.32,;.12,-3.94,;-.41,-5.4,;.59,-6.58,;-1.92,-5.66,;-2.91,-4.48,;-4.43,-4.75,;-2.99,-.37,;-1.62,.35,;-1.57,1.9,;-2.89,2.72,;-4.25,2,;-4.3,.46,;-5.48,-.54,)|
Show InChI InChI=1S/C24H28ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h6,8-10,13-14H,1,7,11-12,15H2,2-5H3
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203610
PNG
(CHEMBL247359 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(31.17,-11.99,;32.16,-13.17,;33.68,-12.9,;34.67,-14.08,;36.19,-13.81,;36.71,-12.36,;38.23,-12.09,;39.67,-12.61,;39.4,-11.1,;34.15,-15.53,;35.14,-16.7,;34.77,-18.2,;33.34,-18.78,;36.08,-19.01,;37.26,-18.02,;38.8,-17.92,;39.78,-19.1,;41.29,-18.83,;41.81,-17.38,;42.28,-20,;41.76,-21.46,;42.75,-22.64,;40.24,-21.72,;39.25,-20.54,;37.73,-20.81,;39.17,-16.43,;40.54,-15.71,;40.59,-14.16,;39.27,-13.33,;37.91,-14.06,;37.86,-15.6,;36.68,-16.59,)|
Show InChI InChI=1S/C26H32ClN5/c1-5-12-30(13-10-20-8-9-20)16-23-19(4)29-26-31(23)22-7-6-11-28-25(22)32(26)24-18(3)14-17(2)15-21(24)27/h6-7,11,14-15,20H,5,8-10,12-13,16H2,1-4H3
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203589
PNG
(CHEMBL391141 | cyclopropylmethyl-[2-methyl-8-(2,4,...)
Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(6.48,-8.21,;7.47,-9.39,;8.99,-9.12,;9.98,-10.3,;11.5,-10.03,;12.02,-8.58,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.08,-14.42,;8.65,-15,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.12,-13.6,;17.6,-16.22,;17.07,-17.68,;18.05,-18.85,;15.55,-17.94,;14.56,-16.77,;13.05,-17.02,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.22,-10.28,;13.17,-11.82,;11.98,-12.82,)|
Show InChI InChI=1S/C26H33N5/c1-6-12-29(15-21-9-10-21)16-23-20(5)28-26-30(23)22-8-7-11-27-25(22)31(26)24-18(3)13-17(2)14-19(24)4/h7-8,11,13-14,21H,6,9-10,12,15-16H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203624
PNG
(CHEMBL393250 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.27,3.89,;18.26,2.71,;19.78,2.99,;20.77,1.81,;22.28,2.08,;22.81,3.53,;24.32,3.8,;20.24,.36,;21.24,-.82,;20.87,-2.31,;19.44,-2.89,;22.17,-3.13,;23.35,-2.14,;24.89,-2.03,;25.88,-3.21,;27.39,-2.94,;27.91,-1.49,;28.38,-4.11,;27.85,-5.57,;28.84,-6.75,;26.33,-5.83,;25.35,-4.65,;23.83,-4.92,;25.27,-.54,;26.63,.18,;26.69,1.73,;25.37,2.55,;24.01,1.83,;23.95,.29,;22.77,-.71,)|
Show InChI InChI=1S/C24H30ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h8-10,13-14H,6-7,11-12,15H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203608
PNG
(CHEMBL245671 | cyclopropylmethyl-propyl-[2-trifluo...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)C(F)(F)F |(-3.33,4.87,;-4.85,4.6,;-5.37,3.15,;-6.89,2.88,;-7.68,4.2,;-9.22,4.18,;-10.56,4.94,;-10.54,3.4,;-7.41,1.43,;-6.42,.25,;-6.79,-1.24,;-5.48,-2.06,;-4.31,-1.07,;-2.77,-.96,;-1.78,-2.14,;-.27,-1.87,;.25,-.42,;.72,-3.04,;.19,-4.5,;1.18,-5.68,;-1.32,-4.76,;-2.31,-3.59,;-3.83,-3.85,;-2.39,.53,;-1.03,1.25,;-.97,2.8,;-2.29,3.62,;-3.65,2.9,;-3.7,1.36,;-4.89,.36,;-8.22,-1.82,;-9.71,-2.21,;-7.74,-3.28,;-8.7,-.36,)|
Show InChI InChI=1S/C26H30F3N5/c1-5-11-32(14-19-8-9-19)15-21-23(26(27,28)29)31-25-33(21)20-7-6-10-30-24(20)34(25)22-17(3)12-16(2)13-18(22)4/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3
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16n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387502
PNG
(CHEMBL2059802)
Show SMILES Cn1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12 |r|
Show InChI InChI=1S/C35H45N7O3/c1-38-24-25(28-9-3-5-11-31(28)38)23-30(33(43)40-19-13-26(14-20-40)39-17-7-2-8-18-39)37-34(44)41-21-15-27(16-22-41)42-32-12-6-4-10-29(32)36-35(42)45/h3-6,9-12,24,26-27,30H,2,7-8,13-23H2,1H3,(H,36,45)(H,37,44)/t30-/m1/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203617
PNG
(CHEMBL395833 | cyclobutylmethyl-[2-ethyl-8-(2,4,6-...)
Show SMILES CCCN(CC1CCC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(11.68,4.65,;10.16,4.38,;9.64,2.93,;8.12,2.66,;7.34,3.99,;5.8,3.97,;4.69,5.05,;3.62,3.94,;4.72,2.87,;7.6,1.22,;8.59,.04,;8.22,-1.46,;6.8,-2.04,;5.58,-1.09,;9.53,-2.27,;10.71,-1.28,;12.25,-1.17,;13.24,-2.35,;14.74,-2.08,;15.27,-.64,;15.73,-3.26,;15.21,-4.71,;16.2,-5.89,;13.69,-4.98,;12.7,-3.8,;11.18,-4.06,;12.62,.32,;13.99,1.04,;14.05,2.59,;12.73,3.41,;11.36,2.68,;11.31,1.14,;10.13,.15,)|
Show InChI InChI=1S/C28H37N5/c1-6-14-31(17-22-10-8-11-22)18-25-23(7-2)30-28-32(25)24-12-9-13-29-27(24)33(28)26-20(4)15-19(3)16-21(26)5/h9,12-13,15-16,22H,6-8,10-11,14,17-18H2,1-5H3
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17n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203597
PNG
(CHEMBL556060 | dibutyl-[8-(2-chloro-4,6-dimethyl-p...)
Show SMILES CCCCN(CCCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.39,-10.54,;2.87,-11.99,;1.35,-12.26,;.83,-13.7,;-.68,-13.98,;-1.67,-12.8,;-3.19,-13.07,;-4.18,-11.89,;-5.69,-12.16,;-1.21,-15.42,;-.22,-16.6,;-.58,-18.09,;-2.01,-18.67,;.72,-18.9,;1.9,-17.92,;3.44,-17.81,;4.42,-18.98,;5.93,-18.71,;6.45,-17.27,;6.92,-19.89,;6.39,-21.35,;7.39,-22.52,;4.88,-21.61,;3.89,-20.43,;2.38,-20.69,;3.81,-16.33,;5.17,-15.6,;5.24,-14.05,;3.92,-13.23,;2.56,-13.96,;2.5,-15.49,;1.32,-16.49,)|
Show InChI InChI=1S/C26H34ClN5/c1-6-8-13-30(14-9-7-2)17-23-20(5)29-26-31(23)22-11-10-12-28-25(22)32(26)24-19(4)15-18(3)16-21(24)27/h10-12,15-16H,6-9,13-14,17H2,1-5H3
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18n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203599
PNG
(CHEMBL247558 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...)
Show SMILES CCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.49,-43.18,;-8.98,-42.91,;-7.99,-44.09,;-6.47,-43.82,;-5.95,-42.37,;-4.56,-41.72,;-5.21,-40.33,;-6.61,-40.98,;-8.51,-45.54,;-7.52,-46.72,;-7.89,-48.21,;-9.31,-48.79,;-6.58,-49.02,;-5.4,-48.04,;-3.86,-47.93,;-2.87,-49.11,;-1.37,-48.84,;-.84,-47.39,;-.38,-50.01,;-.9,-51.47,;.09,-52.65,;-2.42,-51.73,;-3.41,-50.55,;-4.92,-50.82,;-3.49,-46.44,;-2.12,-45.72,;-2.06,-44.17,;-3.38,-43.34,;-4.74,-44.07,;-4.8,-45.61,;-5.98,-46.6,)|
Show InChI InChI=1S/C25H30ClN5/c1-5-29(14-19-8-6-9-19)15-22-18(4)28-25-30(22)21-10-7-11-27-24(21)31(25)23-17(3)12-16(2)13-20(23)26/h7,10-13,19H,5-6,8-9,14-15H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203594
PNG
(CHEMBL391169 | bis-cyclopropylmethyl-[2-methyl-8-(...)
Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC1CC1)CC1CC1 |(19.36,-18.14,;20.79,-17.56,;22.1,-18.37,;23.28,-17.38,;24.81,-17.27,;25.8,-18.45,;27.31,-18.18,;27.83,-16.74,;28.3,-19.36,;27.78,-20.81,;28.77,-21.99,;26.26,-21.08,;25.27,-19.9,;23.75,-20.16,;25.19,-15.79,;26.56,-15.06,;26.61,-13.51,;25.29,-12.69,;23.93,-13.42,;23.88,-14.96,;22.7,-15.95,;21.16,-16.06,;20.17,-14.88,;20.69,-13.44,;22.21,-13.17,;22.73,-11.72,;23.9,-10.73,;22.45,-10.2,;19.7,-12.26,;18.18,-12.53,;16.74,-12.01,;17.01,-13.53,)|
Show InChI InChI=1S/C27H33N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-6,11-13,21-22H,7-10,14-16H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203619
PNG
(CHEMBL430391 | diallyl-[2-methyl-8-(2,4,6-trimethy...)
Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC=C)CC=C |(4.62,-18.05,;6.05,-17.47,;7.36,-18.28,;8.53,-17.3,;10.07,-17.19,;11.06,-18.37,;12.57,-18.1,;13.09,-16.65,;13.56,-19.27,;13.03,-20.73,;14.03,-21.91,;11.52,-20.99,;10.53,-19.81,;9.01,-20.08,;10.45,-15.7,;11.82,-14.98,;11.87,-13.43,;10.55,-12.61,;9.19,-13.33,;9.14,-14.87,;7.96,-15.87,;6.42,-15.98,;5.43,-14.8,;5.95,-13.35,;4.96,-12.17,;3.44,-12.44,;2.45,-11.27,;7.47,-13.08,;7.99,-11.63,;9.51,-11.36,)|
Show InChI InChI=1S/C25H29N5/c1-7-12-28(13-8-2)16-22-20(6)27-25-29(22)21-10-9-11-26-24(21)30(25)23-18(4)14-17(3)15-19(23)5/h7-11,14-15H,1-2,12-13,16H2,3-6H3
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50430069
PNG
(CHEMBL2336423)
Show SMILES Cc1cc(C[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m0/s1
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to CGRP receptor (unknown origin)


Bioorg Med Chem Lett 23: 1870-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.011
BindingDB Entry DOI: 10.7270/Q2WD41XV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203602
PNG
(CHEMBL247358 | diallyl-[8-(2-chloro-4,6-dimethyl-p...)
Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN(CC=C)CC=C |(-8.91,-17.58,;-7.48,-17,;-6.18,-17.81,;-5,-16.83,;-3.46,-16.72,;-2.47,-17.9,;-.96,-17.63,;-.44,-16.18,;.03,-18.8,;-.5,-20.26,;.49,-21.44,;-2.02,-20.52,;-3.01,-19.34,;-4.52,-19.61,;-3.09,-15.23,;-1.72,-14.51,;-1.66,-12.96,;-2.98,-12.14,;-4.34,-12.86,;-4.4,-14.4,;-5.58,-15.4,;-7.11,-15.51,;-8.11,-14.33,;-7.58,-12.88,;-8.58,-11.7,;-10.09,-11.97,;-11.08,-10.8,;-6.07,-12.61,;-5.54,-11.16,;-4.03,-10.89,)|
Show InChI InChI=1S/C24H26ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h6-10,13-14H,1-2,11-12,15H2,3-5H3
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203600
PNG
(CHEMBL246944 | benzyl-[8-(2-chloro-4,6-dimethyl-ph...)
Show SMILES CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccccc1 |(29.67,-32.19,;30.67,-33.37,;32.18,-33.1,;33.17,-34.28,;32.65,-35.73,;33.64,-36.9,;33.27,-38.4,;31.85,-38.98,;34.58,-39.21,;35.76,-38.22,;37.3,-38.11,;38.29,-39.29,;39.79,-39.03,;40.32,-37.58,;40.78,-40.2,;40.26,-41.65,;41.25,-42.83,;38.74,-41.92,;37.75,-40.74,;36.23,-41,;37.67,-36.63,;39.04,-35.9,;39.1,-34.36,;37.78,-33.53,;36.41,-34.26,;36.36,-35.8,;35.18,-36.79,;34.69,-34.01,;35.21,-32.56,;36.73,-32.29,;37.25,-30.85,;36.26,-29.67,;34.73,-29.94,;34.22,-31.39,)|
Show InChI InChI=1S/C28H30ClN5/c1-5-14-32(17-22-10-7-6-8-11-22)18-25-21(4)31-28-33(25)24-12-9-13-30-27(24)34(28)26-20(3)15-19(2)16-23(26)29/h6-13,15-16H,5,14,17-18H2,1-4H3
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387511
PNG
(CHEMBL2059879)
Show SMILES Cc1nc2ccc(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C(=O)N3CCC(CC3)N3CCCCC3)cc2[nH]1 |r|
Show InChI InChI=1S/C35H46N8O3/c1-24-36-30-10-9-25(21-31(30)37-24)22-32(33(44)41-17-11-27(12-18-41)40-15-5-2-6-16-40)39-34(45)42-19-13-28(14-20-42)43-23-26-7-3-4-8-29(26)38-35(43)46/h3-4,7-10,21,27-28,32H,2,5-6,11-20,22-23H2,1H3,(H,36,37)(H,38,46)(H,39,45)/t32-/m1/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50387503
PNG
(CHEMBL2059803)
Show SMILES O=C(NC(Cc1ccc2[nH]ccc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C34H43N7O3/c42-32(39-18-11-26(12-19-39)38-16-4-1-5-17-38)30(23-24-8-9-28-25(22-24)10-15-35-28)37-33(43)40-20-13-27(14-21-40)41-31-7-3-2-6-29(31)36-34(41)44/h2-3,6-10,15,22,26-27,30,35H,1,4-5,11-14,16-21,23H2,(H,36,44)(H,37,43)
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs


Bioorg Med Chem Lett 22: 4723-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.074
BindingDB Entry DOI: 10.7270/Q2SN0B1W
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50203606
PNG
(CHEMBL247755 | butyl-[8-(2-chloro-4,6-dimethyl-phe...)
Show SMILES CCCCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(38.38,-42.11,;37.86,-43.56,;36.34,-43.83,;35.82,-45.28,;34.3,-45.55,;33.31,-44.37,;31.79,-44.64,;33.78,-46.99,;34.77,-48.17,;34.4,-49.67,;32.98,-50.25,;35.71,-50.48,;36.89,-49.49,;38.43,-49.38,;39.42,-50.56,;40.92,-50.29,;41.45,-48.84,;41.91,-51.47,;41.39,-52.92,;42.38,-54.1,;39.87,-53.19,;38.88,-52.01,;37.36,-52.27,;38.8,-47.89,;40.17,-47.17,;40.23,-45.62,;38.85,-44.73,;37.54,-45.53,;37.49,-47.07,;36.31,-48.06,)|
Show InChI InChI=1S/C24H30ClN5/c1-6-8-12-28(7-2)15-21-18(5)27-24-29(21)20-10-9-11-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h9-11,13-14H,6-8,12,15H2,1-5H3
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36n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production


Bioorg Med Chem Lett 17: 2026-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.008
BindingDB Entry DOI: 10.7270/Q21R6Q5Q
More data for this
Ligand-Target Pair
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