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Articleid 50030045

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM50290547
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O2/c1-3-16-15-32-11-10-18(16)12-25(32)26(33)22-14-24(17-4-6-19(7-5-17)27(28,29)30)31-23-9-8-20(34-2)13-21(22)23/h4-9,13-14,16,18,25-26,33H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1
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Article
n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Adrenomedullin receptor AM1; CALCRL/RAMP2


(Homo sapiens (Human))
BDBM50290549
PNG
((R)-[2-(4-Chloro-phenyl)-6-methoxy-quinolin-4-yl]-...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN2O2/c1-3-16-15-29-11-10-18(16)12-25(29)26(30)22-14-24(17-4-6-19(27)7-5-17)28-23-9-8-20(31-2)13-21(22)23/h4-9,13-14,16,18,25-26,30H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290549
PNG
((R)-[2-(4-Chloro-phenyl)-6-methoxy-quinolin-4-yl]-...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN2O2/c1-3-16-15-29-11-10-18(16)12-25(29)26(30)22-14-24(17-4-6-19(27)7-5-17)28-23-9-8-20(31-2)13-21(22)23/h4-9,13-14,16,18,25-26,30H,3,10-12,15H2,1-2H3/t16?,18?,25?,26-/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity towards recombinant human Calcitonin gene-related peptide type receptor (membranes of HEK-293 c...


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290551
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O2/c1-3-16-15-32-10-9-17(16)12-25(32)26(33)22-14-24(18-5-4-6-19(11-18)27(28,29)30)31-23-8-7-20(34-2)13-21(22)23/h4-8,11,13-14,16-17,25-26,33H,3,9-10,12,15H2,1-2H3/t16?,17?,25?,26-/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290558
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C32H34N2O3/c1-3-21-20-34-16-15-23(21)17-31(34)32(35)28-19-30(33-29-14-13-26(36-2)18-27(28)29)22-9-11-25(12-10-22)37-24-7-5-4-6-8-24/h4-14,18-19,21,23,31-32,35H,3,15-17,20H2,1-2H3/t21?,23?,31?,32-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290553
PNG
((R)-[2-(3-Chloro-4-fluoro-phenyl)-6-methoxy-quinol...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H28ClFN2O2/c1-3-15-14-30-9-8-16(15)11-25(30)26(31)20-13-24(17-4-6-22(28)21(27)10-17)29-23-7-5-18(32-2)12-19(20)23/h4-7,10,12-13,15-16,25-26,31H,3,8-9,11,14H2,1-2H3/t15?,16?,25?,26-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290548
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O2/c1-3-19-18-32-14-13-21(19)15-29(32)30(33)26-17-28(31-27-12-11-22(34-2)16-25(26)27)24-10-6-8-20-7-4-5-9-23(20)24/h4-12,16-17,19,21,29-30,33H,3,13-15,18H2,1-2H3/t19?,21?,29?,30-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290556
PNG
((R)-[2-(2,4-Dichloro-phenyl)-6-methoxy-quinolin-4-...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N2O2/c1-3-15-14-30-9-8-16(15)10-25(30)26(31)21-13-24(19-6-4-17(27)11-22(19)28)29-23-7-5-18(32-2)12-20(21)23/h4-7,11-13,15-16,25-26,31H,3,8-10,14H2,1-2H3/t15?,16?,25?,26-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290552
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H29N3O4/c1-3-16-15-28-10-9-17(16)12-25(28)26(30)22-14-24(18-5-4-6-19(11-18)29(31)32)27-23-8-7-20(33-2)13-21(22)23/h4-8,11,13-14,16-17,25-26,30H,3,9-10,12,15H2,1-2H3/t16?,17?,25?,26-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290550
PNG
((R)-(2-Benzo[1,3]dioxol-5-yl-6-methoxy-quinolin-4-...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C27H30N2O4/c1-3-16-14-29-9-8-17(16)10-24(29)27(30)21-13-23(18-4-7-25-26(11-18)33-15-32-25)28-22-6-5-19(31-2)12-20(21)22/h4-7,11-13,16-17,24,27,30H,3,8-10,14-15H2,1-2H3/t16?,17?,24?,27-/m1/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290546
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C26H30N2O2/c1-3-17-16-28-12-11-19(17)13-25(28)26(29)22-15-24(18-7-5-4-6-8-18)27-23-10-9-20(30-2)14-21(22)23/h4-10,14-15,17,19,25-26,29H,3,11-13,16H2,1-2H3/t17?,19?,25?,26-/m1/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290557
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccsc1
Show InChI InChI=1S/C24H28N2O2S/c1-3-15-13-26-8-6-16(15)10-23(26)24(27)20-12-22(17-7-9-29-14-17)25-21-5-4-18(28-2)11-19(20)21/h4-5,7,9,11-12,14-16,23-24,27H,3,6,8,10,13H2,1-2H3/t15?,16?,23?,24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290554
PNG
((R)-[2-(3-Amino-phenyl)-6-methoxy-quinolin-4-yl]-(...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1cccc(N)c1
Show InChI InChI=1S/C26H31N3O2/c1-3-16-15-29-10-9-17(16)12-25(29)26(30)22-14-24(18-5-4-6-19(27)11-18)28-23-8-7-20(31-2)13-21(22)23/h4-8,11,13-14,16-17,25-26,30H,3,9-10,12,15,27H2,1-2H3/t16?,17?,25?,26-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50290555
PNG
((R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-meth...)
Show SMILES CCC1CN2CCC1CC2[C@H](O)c1cc(nc2ccc(OC)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H32N2O3/c1-4-17-16-29-12-11-19(17)13-26(29)27(30)23-15-25(18-5-7-20(31-2)8-6-18)28-24-10-9-21(32-3)14-22(23)24/h5-10,14-15,17,19,26-27,30H,4,11-13,16H2,1-3H3/t17?,19?,26?,27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP human Calcitonin gene-related peptide type receptor expressed in SK-N-MC neuroblastoma cell membranes


Bioorg Med Chem Lett 7: 2673-2676 (1997)


Article DOI: 10.1016/S0960-894X(97)10046-4
BindingDB Entry DOI: 10.7270/Q22Z15KZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%