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Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'dodey' and Initial = 'p'   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089316
PNG
(CHEMBL410068 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)NC(CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32?,33?,34-,36?,37?,41?/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B1 receptor was determined using [3H]-[des-Arg10-Leu9]-kallidin as radioligand


J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089314
PNG
(CHEMBL405182 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089307
PNG
(CHEMBL410579 | H-Lys-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D...)
Show SMILES NCCCCC(N)C(=O)NC(CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C55H81N15O13S/c56-19-7-5-13-35(58)47(76)63-36(14-6-8-20-57)48(77)64-37(15-9-21-61-55(59)60)52(81)68-22-10-17-41(68)54(83)69-27-34(72)25-42(69)50(79)62-26-44(73)67-46(33-23-31-11-1-2-12-32(31)24-33)51(80)65-38(29-71)49(78)66-39-30-84-43-18-4-3-16-40(43)70(53(39)82)28-45(74)75/h1-4,11-12,16,18,33-39,41-42,46,71-72H,5-10,13-15,17,19-30,56-58H2,(H,62,79)(H,63,76)(H,64,77)(H,65,80)(H,66,78)(H,67,73)(H,74,75)(H4,59,60,61)/t34?,35?,36?,37-,38+,39-,41+,42+,46?/m1/s1
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0.0350n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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0.0650n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50081659
PNG
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-Lys-H)-4-oxo-3,4-dihyd...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C51H77N17O13S2/c52-16-4-3-10-30(53)42(73)63-31(11-5-17-58-50(54)55)46(77)66-19-7-14-37(66)48(79)67-24-28(70)21-38(67)45(76)60-23-40(71)62-33(22-29-9-8-20-82-29)43(74)64-34(26-69)44(75)65-35-27-83-39-15-2-1-13-36(39)68(47(35)78)25-41(72)61-32(49(80)81)12-6-18-59-51(56)57/h1-2,8-9,13,15,20,28,30-35,37-38,69-70H,3-7,10-12,14,16-19,21-27,52-53H2,(H,60,76)(H,61,72)(H,62,71)(H,63,73)(H,64,74)(H,65,75)(H,80,81)(H4,54,55,58)(H4,56,57,59)/t28?,30-,31-,32+,33-,34-,35?,37-,38-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089308
PNG
(CHEMBL412349 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-DTic...)
Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(Cc2ccccc12)C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H83N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79-80H,5-8,14-16,18-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37?,38-,39?,40?,41+,43+,44+,45?,46?/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420581
PNG
(CHEMBL2087422)
Show SMILES CCN1CCC(CC1)N1CCN(CC1)C(=O)COCCN(C)S(=O)(=O)c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C25H42N4O5S/c1-6-27-9-7-22(8-10-27)28-11-13-29(14-12-28)24(30)19-34-16-15-26(4)35(31,32)25-20(2)17-23(33-5)18-21(25)3/h17-18,22H,6-16,19H2,1-5H3
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0.200n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089313
PNG
(CHEMBL412824 | H-Lys-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C45H65N13O12S2/c46-14-4-3-9-27(47)38(64)53-28(10-5-15-50-45(48)49)42(68)56-16-6-12-33(56)44(70)57-21-25(60)18-34(57)41(67)51-20-36(61)52-29(19-26-8-7-17-71-26)39(65)54-30(23-59)40(66)55-31-24-72-35-13-2-1-11-32(35)58(43(31)69)22-37(62)63/h1-2,7-8,11,13,17,25,27-31,33-34,59-60H,3-6,9-10,12,14-16,18-24,46-47H2,(H,51,67)(H,52,61)(H,53,64)(H,54,65)(H,55,66)(H,62,63)(H4,48,49,50)/t25?,27?,28-,29?,30+,31-,33+,34+/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50326708
PNG
(CHEMBL1254771 | N-(4-(4,5-dihydro-1H-imidazol-2-yl...)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:32|
Show InChI InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
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0.300n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089313
PNG
(CHEMBL412824 | H-Lys-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C45H65N13O12S2/c46-14-4-3-9-27(47)38(64)53-28(10-5-15-50-45(48)49)42(68)56-16-6-12-33(56)44(70)57-21-25(60)18-34(57)41(67)51-20-36(61)52-29(19-26-8-7-17-71-26)39(65)54-30(23-59)40(66)55-31-24-72-35-13-2-1-11-32(35)58(43(31)69)22-37(62)63/h1-2,7-8,11,13,17,25,27-31,33-34,59-60H,3-6,9-10,12,14-16,18-24,46-47H2,(H,51,67)(H,52,61)(H,53,64)(H,54,65)(H,55,66)(H,62,63)(H4,48,49,50)/t25?,27?,28-,29?,30+,31-,33+,34+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420570
PNG
(CHEMBL2087434)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H45N3O5S/c1-20(2)29-11-7-23(8-12-29)24-9-13-30(14-10-24)26(31)19-35-16-15-28(5)36(32,33)27-21(3)17-25(34-6)18-22(27)4/h17-18,20,23-24H,7-16,19H2,1-6H3
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0.400n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against rat Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50081660
PNG
((JMV 1116) H-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-Ar...)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31-,32+,33+,34?,36+,37+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420569
PNG
(CHEMBL2087433)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C25H41N3O5S/c1-19-16-23(32-5)17-20(2)25(19)34(30,31)27(4)14-15-33-18-24(29)28-12-8-22(9-13-28)21-6-10-26(3)11-7-21/h16-17,21-22H,6-15,18H2,1-5H3
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0.700n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50408748
PNG
(CHEMBL2112698)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34-,36+,37+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420579
PNG
(CHEMBL2087423)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CCN(CC1)C1CC1
Show InChI InChI=1S/C26H42N4O5S/c1-20-17-24(34-4)18-21(2)26(20)36(32,33)27(3)15-16-35-19-25(31)30-13-11-29(12-14-30)23-7-9-28(10-8-23)22-5-6-22/h17-18,22-23H,5-16,19H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089310
PNG
(2-({1-[2-(2-{2-[(1-{1-[2-(2,6-Diamino-hexanoylamin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)C(N)CCCCN)C(O)=O
Show InChI InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30?,31-,32+,33+,34+,35+,36+,37+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50082568
PNG
(2-({3-[4-(2-Azido-benzenesulfonylaminocarbonyl)-be...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1N=[N+]=[N-]
Show InChI InChI=1S/C29H29N7O5S/c1-2-3-12-27-32-18-22(17-31-24-9-5-4-8-23(24)29(38)39)36(27)19-20-13-15-21(16-14-20)28(37)34-42(40,41)26-11-7-6-10-25(26)33-35-30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,34,37)(H,38,39)
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1.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420589
PNG
(CHEMBL2087031)
Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCc1ccccc1)CC(=O)NCC(=O)N(CCCCN1CCCC1)Cc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C35H44Cl2N6O4S/c1-26-30(36)15-16-31(34(26)37)48(46,47)43(22-17-27-9-3-2-4-10-27)25-32(44)40-23-33(45)42(21-8-7-20-41-18-5-6-19-41)24-28-11-13-29(14-12-28)35(38)39/h2-4,9-16H,5-8,17-25H2,1H3,(H3,38,39)(H,40,44)
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1.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Binding affinity to B1 receptor


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420580
PNG
(CHEMBL2087421)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-12-10-27(11-13-28)21-6-8-25(3)9-7-21/h16-17,21H,6-15,18H2,1-5H3
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1.60n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420603
PNG
(CHEMBL2087035)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10|
Show InChI InChI=1S/C23H28Cl2N4O4S/c1-16-19(24)8-9-20(22(16)25)34(31,32)29(3)12-13-33-15-21(30)28(2)14-17-4-6-18(7-5-17)23-26-10-11-27-23/h4-9H,10-15H2,1-3H3,(H,26,27)
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2.10n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50082567
PNG
(2-({2-Butyl-3-[4-(2-chloro-benzenesulfonylaminocar...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O5S/c1-2-3-12-27-32-18-22(17-31-25-10-6-4-8-23(25)29(36)37)34(27)19-20-13-15-21(16-14-20)28(35)33-40(38,39)26-11-7-5-9-24(26)30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,33,35)(H,36,37)
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2.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.


J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50081663
PNG
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-4-oxo-3,4-dih...)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1COc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C51H77N19O14S/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-85-28)42(76)66-33(25-71)43(77)67-34-26-84-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31-,32+,33+,34?,36+,37+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420595
PNG
(CHEMBL2087409)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F |t:10|
Show InChI InChI=1S/C23H27F3N4O4S/c1-29(15-17-7-9-18(10-8-17)22-27-11-12-28-22)21(31)16-34-14-13-30(2)35(32,33)20-6-4-3-5-19(20)23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28)
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2.80n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420597
PNG
(CHEMBL2087411)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl |t:10|
Show InChI InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)19-5-3-4-18(23)21(19)24/h3-9H,10-15H2,1-2H3,(H,25,26)
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3.10n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420582
PNG
(CHEMBL2087420)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CC2CCC(C1)N2C
Show InChI InChI=1S/C26H42N4O5S/c1-19-14-24(34-5)15-20(2)26(19)36(32,33)27(3)12-13-35-18-25(31)30-10-8-29(9-11-30)23-16-21-6-7-22(17-23)28(21)4/h14-15,21-23H,6-13,16-18H2,1-5H3
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3.30n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420573
PNG
(CHEMBL2087429)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CCN(C)C)CC1
Show InChI InChI=1S/C23H39N3O5S/c1-18-15-21(30-6)16-19(2)23(18)32(28,29)25(5)13-14-31-17-22(27)26-11-8-20(9-12-26)7-10-24(3)4/h15-16,20H,7-14,17H2,1-6H3
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3.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420571
PNG
(CHEMBL2087432)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C26H44N4O5S/c1-20(2)28-11-13-29(14-12-28)23-7-9-30(10-8-23)25(31)19-35-16-15-27(5)36(32,33)26-21(3)17-24(34-6)18-22(26)4/h17-18,20,23H,7-16,19H2,1-6H3
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3.80n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420601
PNG
(CHEMBL2087412)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl |t:10|
Show InChI InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420598
PNG
(CHEMBL2087413)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:31|
Show InChI InChI=1S/C23H29ClN4O5S/c1-27(15-17-4-6-18(7-5-17)23-25-10-11-26-23)22(29)16-33-13-12-28(2)34(30,31)21-9-8-19(32-3)14-20(21)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,25,26)
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4.30n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089312
PNG
(CHEMBL408846 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT...)
Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420577
PNG
(CHEMBL2087424)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1
Show InChI InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-12-10-28(11-13-29)18-22-6-8-26(3)9-7-22/h16-17,22H,6-15,18-19H2,1-5H3
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4.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420568
PNG
(CHEMBL2087435)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CN2CCN(C)CC2)CC1
Show InChI InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-8-6-22(7-9-29)18-28-12-10-26(3)11-13-28/h16-17,22H,6-15,18-19H2,1-5H3
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4.70n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420596
PNG
(CHEMBL2087410)
Show SMILES COc1ccc(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:31|
Show InChI InChI=1S/C24H32N4O5S/c1-18-15-21(32-4)9-10-22(18)34(30,31)28(3)13-14-33-17-23(29)27(2)16-19-5-7-20(8-6-19)24-25-11-12-26-24/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,26)
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5.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420583
PNG
(CHEMBL2087418)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)[C@@H]1CN2CCC1CC2 |r,wD:27.28,(-8.78,-41.55,;-8.78,-43.09,;-7.45,-43.86,;-6.11,-43.09,;-4.77,-43.85,;-3.56,-42.83,;-4.76,-45.41,;-6.11,-46.19,;-6.11,-47.73,;-7.45,-45.41,;-3.42,-46.18,;-2.66,-47.51,;-4.19,-47.51,;-2.09,-45.47,;-2.17,-43.87,;-.75,-46.19,;.55,-45.38,;1.91,-46.11,;3.22,-45.3,;4.58,-46.02,;4.62,-47.56,;5.89,-45.21,;7.24,-45.95,;8.54,-45.15,;8.5,-43.61,;7.15,-42.88,;5.83,-43.68,;9.82,-42.8,;9.77,-41.27,;11.09,-40.47,;12.44,-41.2,;12.48,-42.74,;11.17,-43.54,;11.64,-42.56,;10.31,-41.79,)|
Show InChI InChI=1S/C25H40N4O5S/c1-19-15-22(33-4)16-20(2)25(19)35(31,32)26(3)13-14-34-18-24(30)29-11-9-28(10-12-29)23-17-27-7-5-21(23)6-8-27/h15-16,21,23H,5-14,17-18H2,1-4H3/t23-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50089309
PNG
(CHEMBL216618 | H-DArg-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT...)
Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N15O12S/c50-30(10-5-15-55-48(51)52)41(70)58-31(11-6-16-56-49(53)54)45(74)62-17-7-13-35(62)47(76)63-22-29(66)20-36(63)43(72)57-21-38(67)61-40(28-18-26-8-1-2-9-27(26)19-28)44(73)59-32(24-65)42(71)60-33-25-77-37-14-4-3-12-34(37)64(46(33)75)23-39(68)69/h1-4,8-9,12,14,28-33,35-36,40,65-66H,5-7,10-11,13,15-25,50H2,(H,57,72)(H,58,70)(H,59,73)(H,60,71)(H,61,67)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t29?,30?,31-,32+,33-,35+,36+,40?/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420574
PNG
(CHEMBL2087427)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CCCN(C)C)CC1
Show InChI InChI=1S/C23H40N4O5S/c1-19-16-21(31-6)17-20(2)23(19)33(29,30)25(5)14-15-32-18-22(28)27-12-10-26(11-13-27)9-7-8-24(3)4/h16-17H,7-15,18H2,1-6H3
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5.80n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)
BDBM50408748
PNG
(CHEMBL2112698)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34-,36+,37+/m1/s1
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6n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand


J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50081662
PNG
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-8-methyl-4-o...)
Show SMILES Cc1ccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C(=O)C(CSc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N
Show InChI InChI=1S/C52H79N19O13S2/c1-27-12-13-36-39(19-27)86-26-35(47(81)71(36)24-41(75)64-32(49(83)84)10-4-16-62-52(58)59)68-44(78)34(25-72)67-43(77)33(21-29-7-6-18-85-29)65-40(74)22-63-45(79)38-20-28(73)23-70(38)48(82)37-11-5-17-69(37)46(80)31(9-3-15-61-51(56)57)66-42(76)30(53)8-2-14-60-50(54)55/h6-7,12-13,18-19,28,30-35,37-38,72-73H,2-5,8-11,14-17,20-26,53H2,1H3,(H,63,79)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,78)(H,83,84)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t28?,30-,31+,32-,33+,34+,35?,37+,38+/m1/s1
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6n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.


J Med Chem 42: 4193-201 (1999)


BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420600
PNG
(CHEMBL2087415)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1C |t:10|
Show InChI InChI=1S/C23H29ClN4O4S/c1-17-20(24)5-4-6-21(17)33(30,31)28(3)13-14-32-16-22(29)27(2)15-18-7-9-19(10-8-18)23-25-11-12-26-23/h4-10H,11-16H2,1-3H3,(H,25,26)
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6.80n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089316
PNG
(CHEMBL410068 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)NC(CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32?,33?,34-,36?,37?,41?/m1/s1
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9.16n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B2 receptor was determined using [3H]-BK as radioligand


J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089314
PNG
(CHEMBL405182 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50420572
PNG
(CHEMBL2087431)
Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-8-6-21(7-9-28)27-12-10-25(3)11-13-27/h16-17,21H,6-15,18H2,1-5H3
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9.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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>10n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50089306
PNG
(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentano...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
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>10n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin


J Med Chem 43: 2382-6 (2000)


BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
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