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Patent code US10300056

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 receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C40H50N12O4/c1-26-21-28(22-29-25-44-48-35(26)29)24-32(46-39(55)51-15-8-31(9-16-51)52-34-3-2-10-43-36(34)47-40(52)56)37(53)45-33(23-27-4-11-41-12-5-27)38(54)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,31-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,53)(H,46,55)(H,43,47,56)/t32-,33+/s2
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0.0200n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C44H59N13O4/c1-30-25-32(26-33-29-47-51-39(30)33)28-36(49-43(60)56-17-10-35(11-18-56)57-38-5-4-12-46-40(38)50-44(57)61)41(58)48-37(27-31-8-15-53(16-9-31)20-19-52(2)3)42(59)55-23-21-54(22-24-55)34-6-13-45-14-7-34/h4-7,12-14,25-26,29,31,35-37H,8-11,15-24,27-28H2,1-3H3,(H,47,51)(H,48,58)(H,49,60)(H,46,50,61)/t36-,37+/s2
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0.0250n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/s2
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0.0320n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C38H46Br2N10O5/c39-28-20-25(21-29(40)33(28)51)23-30(45-37(54)49-14-7-27(8-15-49)50-32-2-1-9-43-34(32)46-38(50)55)35(52)44-31(22-24-3-10-41-11-4-24)36(53)48-18-16-47(17-19-48)26-5-12-42-13-6-26/h1-2,5-6,9,12-13,20-21,24,27,30-31,41,51H,3-4,7-8,10-11,14-19,22-23H2,(H,44,52)(H,45,54)(H,43,46,55)/t30-,31+/s2
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0.0400n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C46H58N10O4/c1-3-16-53-17-10-32(11-18-53)27-41(45(59)55-23-21-54(22-24-55)37-8-14-47-15-9-37)50-44(58)40(28-33-25-31(2)42-36(26-33)30-48-52-42)51-46(60)56-19-12-34(13-20-56)38-29-35-6-4-5-7-39(35)49-43(38)57/h4-9,14-15,25-26,29-30,32,34,40-41H,3,10-13,16-24,27-28H2,1-2H3,(H,48,52)(H,49,57)(H,50,58)(H,51,60)/t40-,41+/s2
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0.0400n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391722
PNG
(N-[(2R)-1-({(2S)-3-(1- | US10300056, Example 7)
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
Show InChI InChI=1/C45H56N10O4/c1-3-52-16-10-31(11-17-52)26-40(44(58)54-22-20-53(21-23-54)36-8-14-46-15-9-36)49-43(57)39(27-32-24-30(2)41-35(25-32)29-47-51-41)50-45(59)55-18-12-33(13-19-55)37-28-34-6-4-5-7-38(34)48-42(37)56/h4-9,14-15,24-25,28-29,31,33,39-40H,3,10-13,16-23,26-27H2,1-2H3,(H,47,51)(H,48,56)(H,49,57)(H,50,59)/t39-,40+/s2
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0.0400n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C42H53N11O4/c1-28-22-30(23-32-26-45-49-38(28)32)25-36(48-41(56)52-16-10-34(11-17-52)53-27-31-4-2-3-5-35(31)47-42(53)57)39(54)46-37(24-29-6-12-43-13-7-29)40(55)51-20-18-50(19-21-51)33-8-14-44-15-9-33/h2-5,8-9,14-15,22-23,26,29,34,36-37,43H,6-7,10-13,16-21,24-25,27H2,1H3,(H,45,49)(H,46,54)(H,47,57)(H,48,56)/t36-,37+/s2
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0.0630n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C41H48Br2N8O5/c42-32-21-27(22-33(43)37(32)52)24-35(48-41(56)51-15-9-28(10-16-51)31-25-29-3-1-2-4-34(29)46-38(31)53)39(54)47-36(23-26-5-11-44-12-6-26)40(55)50-19-17-49(18-20-50)30-7-13-45-14-8-30/h1-4,7-8,13-14,21-22,25-26,28,35-36,44,52H,5-6,9-12,15-20,23-24H2,(H,46,53)(H,47,54)(H,48,56)/t35-,36+/s2
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0.0630n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391729
PNG
(3,5-dibromo-Nalpha-[(2'-oxo- | US10300056, Example...)
Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc1Br
Show InChI InChI=1S/C38H45Br2N9O6/c39-28-20-25(21-29(40)32(28)50)23-30(45-36(53)49-14-7-38(8-15-49)27-2-1-9-43-33(27)46-37(54)55-38)34(51)44-31(22-24-3-10-41-11-4-24)35(52)48-18-16-47(17-19-48)26-5-12-42-13-6-26/h1-2,5-6,9,12-13,20-21,24,30-31,41,50H,3-4,7-8,10-11,14-19,22-23H2,(H,44,51)(H,45,53)(H,43,46,54)/t30-,31+/m1/s1
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0.0790n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
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
Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(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
Show InChI InChI=1/C43H52N10O4/c1-28-22-30(23-33-27-46-50-39(28)33)25-37(49-43(57)53-16-10-31(11-17-53)35-26-32-4-2-3-5-36(32)47-40(35)54)41(55)48-38(24-29-6-12-44-13-7-29)42(56)52-20-18-51(19-21-52)34-8-14-45-15-9-34/h2-5,8-9,14-15,22-23,26-27,29,31,37-38,44H,6-7,10-13,16-21,24-25H2,1H3,(H,46,50)(H,47,54)(H,48,55)(H,49,57)/t37-,38+/s2
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0.0790n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391728
PNG
(3-(4-{(2S)-2-{[(2R)-3-(7- | US10300056, Example 13)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)CC([O-])=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12
Show InChI InChI=1/C43H52N12O7/c1-27-21-29(22-30-26-46-50-38(27)30)24-33(48-42(61)54-15-8-32(9-16-54)55-35-3-2-10-45-39(35)49-43(55)62)40(59)47-34(23-28-6-13-52(14-7-28)36(56)25-37(57)58)41(60)53-19-17-51(18-20-53)31-4-11-44-12-5-31/h2-5,10-12,21-22,26,28,32-34H,6-9,13-20,23-25H2,1H3,(H,46,50)(H,47,59)(H,48,61)(H,57,58)(H,45,49,62)/p-1/t33-,34+/s2
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0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391721
PNG
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 6)
Show SMILES CCCCC(=O)N1CCC(C[C@H](NC(=O)[C@@H](Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)CC1
Show InChI InChI=1/C48H60N10O5/c1-3-4-9-43(59)56-18-12-33(13-19-56)28-42(47(62)57-24-22-55(23-25-57)38-10-16-49-17-11-38)52-46(61)41(29-34-26-32(2)44-37(27-34)31-50-54-44)53-48(63)58-20-14-35(15-21-58)39-30-36-7-5-6-8-40(36)51-45(39)60/h5-8,10-11,16-17,26-27,30-31,33,35,41-42H,3-4,9,12-15,18-25,28-29H2,1-2H3,(H,50,54)(H,51,60)(H,52,61)(H,53,63)/t41-,42+/s2
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0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1


(Homo sapiens (Human))
BDBM391717
PNG
(US10300056, Example 2 | tert-butyl 4-{(2S)-2-)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N[C@@H](CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12
Show InChI InChI=1/C48H60N10O6/c1-31-25-33(26-36-30-50-54-42(31)36)28-40(53-46(62)57-19-13-34(14-20-57)38-29-35-7-5-6-8-39(35)51-43(38)59)44(60)52-41(27-32-11-17-58(18-12-32)47(63)64-48(2,3)4)45(61)56-23-21-55(22-24-56)37-9-15-49-16-10-37/h5-10,15-16,25-26,29-30,32,34,40-41H,11-14,17-24,27-28H2,1-4H3,(H,50,54)(H,51,59)(H,52,60)(H,53,62)/t40-,41+/s2
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0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


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...


US Patent US10300056 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%