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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Calcitonin gene-related peptide type 1 receptor'   
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))
BDBM103495
PNG
(US8552023, 7)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)CF)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H29F3N4O2/c1-18(20-11-22(32)13-23(33)12-20)37(28(39)29(2,3)17-31)9-5-6-19-10-21-14-30(15-25(21)35-16-19)24-7-4-8-34-26(24)36-27(30)38/h4-8,10-13,16,18H,9,14-15,17H2,1-3H3,(H,34,36,38)/b6-5+/t18-,30+/m1/s1
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0.0410n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.


US Patent US8552023 (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F4V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM103499
PNG
(US8552023, 11)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C1(CC1)C(F)(F)F)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40)/b4-3+/t17-,28+/m1/s1
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0.0500n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.


US Patent US8552023 (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F4V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM103494
PNG
(US8552023, 6)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)CCl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H29ClF2N4O2/c1-18(20-11-22(32)13-23(33)12-20)37(28(39)29(2,3)17-31)9-5-6-19-10-21-14-30(15-25(21)35-16-19)24-7-4-8-34-26(24)36-27(30)38/h4-8,10-13,16,18H,9,14-15,17H2,1-3H3,(H,34,36,38)/b6-5+/t18-,30+/m1/s1
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0.0650n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.


US Patent US8552023 (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F4V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM103501
PNG
(US8552023, 13)
Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccc(C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-19-10-11-22(15-25(19)32)20(2)36(29(38)30(3,4)5)13-7-8-21-14-23-16-31(17-26(23)34-18-21)24-9-6-12-33-27(24)35-28(31)37/h6-12,14-15,18,20H,13,16-17H2,1-5H3,(H,33,35,37)/b8-7+/t20-,31+/m1/s1
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0.130n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.


US Patent US8552023 (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F4V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM103496
PNG
(US8552023, 8)
Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H31F2N3O3/c1-17(20-12-22(29)14-23(30)13-20)33(25(35)27(2,3)4)10-6-7-18-8-9-19-15-28(16-21(19)11-18)24(34)31-26(36)32(28)5/h6-9,11-14,17H,10,15-16H2,1-5H3,(H,31,34,36)/b7-6+/t17-,28+/m1/s1
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0.430n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.


US Patent US8552023 (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F4V
More data for this
Ligand-Target Pair