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Compile Data Set for Download or QSAR

Found 1138 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B2 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
BDKRB2


(RAT)
BDBM50370083
PNG
(CHEMBL1907651)
Show SMILES CN(C)CCCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C33H44N8O5S2/c1-38(2)20-11-21-39(3)23-19-34-32(42)29-16-10-22-40(29)48(45,46)27-17-18-28(30(24-27)41(43)44)36-37-33(47)35-31(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-18,24,29,31,36H,10-11,16,19-23H2,1-3H3,(H3,34,35,37,42,47)
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0.0230n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 by 50% in NG108-15 cell membranes


J Med Chem 45: 2160-72 (2002)


Article DOI: 10.1021/jm0111088
BindingDB Entry DOI: 10.7270/Q2X067SG
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419921
PNG
(CHEMBL1956864)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C38H55Cl2N5O5S/c1-28-26-29(2)41-36-30(28)12-11-13-33(36)50-27-31-32(39)14-15-34(35(31)40)51(47,48)42-38(16-24-49-25-17-38)37(46)43-18-22-45(6,23-19-43)21-10-8-7-9-20-44(3,4)5/h11-15,26,42H,7-10,16-25,27H2,1-6H3/q+2
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0.0398n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419920
PNG
(CHEMBL1956863)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C37H53Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)42-17-21-44(6,22-18-42)20-9-7-8-19-43(3,4)5/h10-14,25,41H,7-9,15-24,26H2,1-6H3/q+2
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419899
PNG
(CHEMBL1956876)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C37H52Cl2N5O5S/c1-26-23-27(2)41-35-29(26)9-8-10-32(35)49-25-30-31(38)11-12-33(34(30)39)50(46,47)42-37(15-21-48-22-16-37)36(45)43-18-13-28(14-19-43)24-40-17-6-7-20-44(3,4)5/h8-12,23,28,40,42H,6-7,13-22,24-25H2,1-5H3/q+1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419907
PNG
(CHEMBL1956855)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCN)c2n1
Show InChI InChI=1S/C33H42Cl2N6O6S/c1-21-19-22(2)38-30-23(21)5-3-7-27(30)47-20-24-25(34)8-9-28(29(24)35)48(44,45)39-33(10-17-46-18-11-33)32(43)41-15-13-40(14-16-41)31(42)26(37)6-4-12-36/h3,5,7-9,19,26,39H,4,6,10-18,20,36-37H2,1-2H3/t26-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50411275
PNG
(CHEMBL218427 | MEN-16132)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419924
PNG
(CHEMBL1956856)
Show SMILES CN(C)CCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl
Show InChI InChI=1S/C35H46Cl2N6O6S/c1-23-21-24(2)39-32-25(23)7-5-9-29(32)49-22-26-27(36)10-11-30(31(26)37)50(46,47)40-35(12-19-48-20-13-35)34(45)43-17-15-42(16-18-43)33(44)28(38)8-6-14-41(3)4/h5,7,9-11,21,28,40H,6,8,12-20,22,38H2,1-4H3/t28-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=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)


Article DOI: 10.1021/jm9901531
BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419918
PNG
(CHEMBL1956719)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN=C(N)N)c2n1
Show InChI InChI=1S/C35H46Cl2N8O6S/c1-22-20-23(2)42-31-24(22)6-5-8-28(31)51-21-25-26(36)9-10-29(30(25)37)52(48,49)43-35(11-18-50-19-12-35)33(47)45-16-14-44(15-17-45)32(46)27(38)7-3-4-13-41-34(39)40/h5-6,8-10,20,27,43H,3-4,7,11-19,21,38H2,1-2H3,(H4,39,40,41)/t27-/m0/s1
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0.0631n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419922
PNG
(CHEMBL1956870)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CCCCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C37H52Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)43-20-18-42(19-21-43)17-8-6-7-9-22-44(3,4)5/h10-14,25,41H,6-9,15-24,26H2,1-5H3/q+1
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0.0631n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419909
PNG
(CHEMBL1956858)
Show SMILES CN(C)CCCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl
Show InChI InChI=1S/C36H48Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-7-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)44-18-16-43(17-19-44)34(45)29(39)9-5-6-15-42(3)4/h7-8,10-12,22,29,41H,5-6,9,13-21,23,39H2,1-4H3/t29-/m0/s1
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0.0631n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=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)


Article DOI: 10.1021/jm9901529
BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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)


Article DOI: 10.1021/jm9901531
BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
BDKRB2


(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)


Article DOI: 10.1021/jm9901531
BindingDB Entry DOI: 10.7270/Q2222VFV
More data for this
Ligand-Target Pair
BDKRB2


(RAT)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=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)


Article DOI: 10.1021/jm9901529
BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419913
PNG
(CHEMBL1956862)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C36H51Cl2N5O5S/c1-26-24-27(2)39-34-28(26)10-9-11-31(34)48-25-29-30(37)12-13-32(33(29)38)49(45,46)40-36(14-22-47-23-15-36)35(44)41-16-20-43(6,21-17-41)19-8-7-18-42(3,4)5/h9-13,24,40H,7-8,14-23,25H2,1-6H3/q+2
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419901
PNG
(CHEMBL1956720)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)C[N+](C)(C)C)c2n1
Show InChI InChI=1S/C33H42Cl2N5O6S/c1-22-19-23(2)36-31-24(22)7-6-8-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)37-33(11-17-45-18-12-33)32(42)39-15-13-38(14-16-39)29(41)20-40(3,4)5/h6-10,19,37H,11-18,20-21H2,1-5H3/q+1
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419906
PNG
(CHEMBL1956854)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCN)c2n1
Show InChI InChI=1S/C33H41Cl2N5O6S/c1-22-20-23(2)37-31-24(22)6-5-7-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)38-33(11-18-45-19-12-33)32(42)40-16-14-39(15-17-40)29(41)8-3-4-13-36/h5-7,9-10,20,38H,3-4,8,11-19,21,36H2,1-2H3
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419902
PNG
(CHEMBL1956722)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C36H48Cl2N5O6S/c1-25-23-26(2)39-34-27(25)9-8-10-30(34)49-24-28-29(37)12-13-31(33(28)38)50(46,47)40-36(14-21-48-22-15-36)35(45)42-18-16-41(17-19-42)32(44)11-6-7-20-43(3,4)5/h8-10,12-13,23,40H,6-7,11,14-22,24H2,1-5H3/q+1
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50036833
PNG
(CHEMBL2371961 | D-Arg-Arg-Pro-Hyp-Gly-Phe-Ser-D-Ti...)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCc2ccccc2[C@@H]1C(=O)N1C[C@H](C2CCCCC12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C61H91N19O13/c62-40(17-8-23-69-59(63)64)51(85)74-41(18-9-24-70-60(65)66)54(88)77-26-11-21-46(77)56(90)79-31-36(82)29-47(79)53(87)72-30-48(83)73-43(28-34-12-2-1-3-13-34)52(86)76-44(33-81)55(89)78-27-22-35-14-4-5-15-37(35)49(78)57(91)80-32-39(38-16-6-7-20-45(38)80)50(84)75-42(58(92)93)19-10-25-71-61(67)68/h1-5,12-15,36,38-47,49,81-82H,6-11,16-33,62H2,(H,72,87)(H,73,83)(H,74,85)(H,75,84)(H,76,86)(H,92,93)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36-,38?,39-,40-,41+,42+,43+,44+,45?,46+,47+,49-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against [3H]-bradykinin binding to bradykinin receptor B2 in guinea pig ileal membrane


J Med Chem 36: 2569-71 (1993)


Article DOI: 10.1021/jm00069a016
BindingDB Entry DOI: 10.7270/Q25D8QX4
More data for this
Ligand-Target Pair
BDKRB2


(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)


Article DOI: 10.1021/jm990961s
BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419905
PNG
(CHEMBL1956853)
Show SMILES CN(C)CCCCC(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl
Show InChI InChI=1S/C35H45Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-7-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)42-18-16-41(17-19-42)31(43)10-5-6-15-40(3)4/h7-9,11-12,22,39H,5-6,10,13-21,23H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074978
PNG
(2-[3-(4-Amino-butyl)-ureido]-N-[4-chloro-2-cyano-3...)
Show SMILES CN(C(=O)CNC(=O)NCCCCN)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C26H29ClN6O3/c1-17-8-9-18-6-5-7-23(25(18)32-17)36-16-20-19(14-29)22(11-10-21(20)27)33(2)24(34)15-31-26(35)30-13-4-3-12-28/h5-11H,3-4,12-13,15-16,28H2,1-2H3,(H2,30,31,35)
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0.100n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel GmbH

Curated by ChEMBL


Assay Description
Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)


Bioorg Med Chem Lett 9: 327-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00736-7
BindingDB Entry DOI: 10.7270/Q2416W7C
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419908
PNG
(CHEMBL1956857)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1
Show InChI InChI=1S/C34H44Cl2N6O6S/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3/t27-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419912
PNG
(CHEMBL1956861)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C35H49Cl2N5O5S/c1-25-23-26(2)38-33-27(25)9-7-10-30(33)47-24-28-29(36)11-12-31(32(28)37)48(44,45)39-35(13-21-46-22-14-35)34(43)40-15-19-42(6,20-16-40)18-8-17-41(3,4)5/h7,9-12,23,39H,8,13-22,24H2,1-6H3/q+2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50075000
PNG
((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...)
Show SMILES COc1cccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2C#N)c1
Show InChI InChI=1S/C31H27ClN4O4/c1-20-10-12-22-7-5-9-28(31(22)35-20)40-19-25-24(17-33)27(14-13-26(25)32)36(2)30(38)18-34-29(37)15-11-21-6-4-8-23(16-21)39-3/h4-16H,18-19H2,1-3H3,(H,34,37)/b15-11+
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0.100n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)


Bioorg Med Chem Lett 9: 327-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00736-7
BindingDB Entry DOI: 10.7270/Q2416W7C
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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)


Article DOI: 10.1021/jm990961s
BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50406750
PNG
(Firazyr | HOE-140 | ICATIBANT | Icatibant)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=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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0.110n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


Article DOI: 10.1021/jm00062a018
BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50036833
PNG
(CHEMBL2371961 | D-Arg-Arg-Pro-Hyp-Gly-Phe-Ser-D-Ti...)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCc2ccccc2[C@@H]1C(=O)N1C[C@H](C2CCCCC12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C61H91N19O13/c62-40(17-8-23-69-59(63)64)51(85)74-41(18-9-24-70-60(65)66)54(88)77-26-11-21-46(77)56(90)79-31-36(82)29-47(79)53(87)72-30-48(83)73-43(28-34-12-2-1-3-13-34)52(86)76-44(33-81)55(89)78-27-22-35-14-4-5-15-37(35)49(78)57(91)80-32-39(38-16-6-7-20-45(38)80)50(84)75-42(58(92)93)19-10-25-71-61(67)68/h1-5,12-15,36,38-47,49,81-82H,6-11,16-33,62H2,(H,72,87)(H,73,83)(H,74,85)(H,75,84)(H,76,86)(H,92,93)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36-,38?,39-,40-,41+,42+,43+,44+,45?,46+,47+,49-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards bradykinin receptor B2 using [3H]-bradykinin


J Med Chem 37: 1347-54 (1994)


Article DOI: 10.1021/jm00035a015
BindingDB Entry DOI: 10.7270/Q200014T
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419903
PNG
(CHEMBL1956723)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C37H50Cl2N5O6S/c1-26-24-27(2)40-35-28(26)10-9-11-31(35)50-25-29-30(38)13-14-32(34(29)39)51(47,48)41-37(15-22-49-23-16-37)36(46)43-19-17-42(18-20-43)33(45)12-7-6-8-21-44(3,4)5/h9-11,13-14,24,41H,6-8,12,15-23,25H2,1-5H3/q+1
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419919
PNG
(CHEMBL1956721)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C35H46Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-6-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)41-17-15-40(16-18-41)31(43)10-7-19-42(3,4)5/h6,8-9,11-12,22,39H,7,10,13-21,23H2,1-5H3/q+1
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419900
PNG
(CHEMBL1956718)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCN=C(N)N)c2n1
Show InChI InChI=1S/C34H44Cl2N8O6S/c1-21-19-22(2)41-30-23(21)5-3-7-27(30)50-20-24-25(35)8-9-28(29(24)36)51(47,48)42-34(10-17-49-18-11-34)32(46)44-15-13-43(14-16-44)31(45)26(37)6-4-12-40-33(38)39/h3,5,7-9,19,26,42H,4,6,10-18,20,37H2,1-2H3,(H4,38,39,40)/t26-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50052513
PNG
(8-Methyl-3-(2-oxo-propyl)-1-phenethyl-1,3,8-triaza...)
Show SMILES CN1CCC2(CC1)N(CCc1ccccc1)CN(CC(C)=O)C2=O
Show InChI InChI=1S/C19H27N3O2/c1-16(23)14-21-15-22(11-8-17-6-4-3-5-7-17)19(18(21)24)9-12-20(2)13-10-19/h3-7H,8-15H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Scios Nova, Inc.

Curated by ChEMBL


Assay Description
Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731


J Med Chem 39: 3169-73 (1996)


Article DOI: 10.1021/jm950676i
BindingDB Entry DOI: 10.7270/Q2C24VH9
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419898
PNG
(CHEMBL1956875)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C36H50Cl2N5O5S/c1-25-22-26(2)40-34-28(25)8-6-9-31(34)48-24-29-30(37)10-11-32(33(29)38)49(45,46)41-36(14-20-47-21-15-36)35(44)42-17-12-27(13-18-42)23-39-16-7-19-43(3,4)5/h6,8-11,22,27,39,41H,7,12-21,23-24H2,1-5H3/q+1
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50406751
PNG
(CHEMBL2369941)
Show SMILES CCCC1C[C@@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccsc1)NC(=O)CNC(=O)[C@@H]1CC[C@H](O)N1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N1[C@@H](CC2CCCCC12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C57H93N19O13S/c1-2-9-31-25-43(53(87)75-39-14-4-3-10-33(39)26-42(75)49(83)71-36(54(88)89)13-7-21-67-57(63)64)74(28-31)51(85)38(29-77)72-47(81)37(24-32-18-23-90-30-32)69-44(78)27-68-48(82)40-16-17-45(79)76(40)52(86)41-15-8-22-73(41)50(84)35(12-6-20-66-56(61)62)70-46(80)34(58)11-5-19-65-55(59)60/h18,23,30-31,33-43,45,77,79H,2-17,19-22,24-29,58H2,1H3,(H,68,82)(H,69,78)(H,70,80)(H,71,83)(H,72,81)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t31?,33?,34-,35+,36+,37+,38+,39?,40+,41+,42+,43-,45+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


Article DOI: 10.1021/jm00062a018
BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419904
PNG
(CHEMBL1956852)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C38H52Cl2N5O6S/c1-27-25-28(2)41-36-29(27)11-10-12-32(36)51-26-30-31(39)14-15-33(35(30)40)52(48,49)42-38(16-23-50-24-17-38)37(47)44-20-18-43(19-21-44)34(46)13-8-6-7-9-22-45(3,4)5/h10-12,14-15,25,42H,6-9,13,16-24,26H2,1-5H3/q+1
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419897
PNG
(CHEMBL1955876)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C35H48Cl2N5O5S/c1-24-21-25(2)39-33-27(24)7-6-8-30(33)47-23-28-29(36)9-10-31(32(28)37)48(44,45)40-35(13-19-46-20-14-35)34(43)41-16-11-26(12-17-41)22-38-15-18-42(3,4)5/h6-10,21,26,38,40H,11-20,22-23H2,1-5H3/q+1
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419917
PNG
(CHEMBL1956867)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CC3)CC[N+](C)(C)CC4)c2n1
Show InChI InChI=1S/C34H45Cl2N5O5S/c1-24-22-25(2)37-32-26(24)6-5-7-29(32)46-23-27-28(35)8-9-30(31(27)36)47(43,44)38-34(10-20-45-21-11-34)33(42)39-12-14-41(15-13-39)18-16-40(3,4)17-19-41/h5-9,22,38H,10-21,23H2,1-4H3/q+2
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0.251n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419911
PNG
(CHEMBL1956860)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C34H47Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-7-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)39-14-16-41(6,17-15-39)19-18-40(3,4)5/h7-11,22,38H,12-21,23H2,1-6H3/q+2
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0.251n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419910
PNG
(CHEMBL1956859)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C37H51Cl2N6O6S/c1-25-23-26(2)41-34-27(25)9-8-11-31(34)51-24-28-29(38)12-13-32(33(28)39)52(48,49)42-37(14-21-50-22-15-37)36(47)44-18-16-43(17-19-44)35(46)30(40)10-6-7-20-45(3,4)5/h8-9,11-13,23,30,42H,6-7,10,14-22,24,40H2,1-5H3/q+1/t30-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074986
PNG
((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C31H24ClF3N4O3/c1-19-6-10-21-4-3-5-27(30(21)38-19)42-18-24-23(16-36)26(14-13-25(24)32)39(2)29(41)17-37-28(40)15-9-20-7-11-22(12-8-20)31(33,34)35/h3-15H,17-18H2,1-2H3,(H,37,40)/b15-9+
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0.300n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)


Bioorg Med Chem Lett 9: 327-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00736-7
BindingDB Entry DOI: 10.7270/Q2416W7C
More data for this
Ligand-Target Pair
BDKRB2


(RAT)
BDBM50370077
PNG
(CHEMBL1907652)
Show SMILES CN(C)CCCN(C)CCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C34H46N8O5S2/c1-39(2)21-12-23-40(3)22-11-20-35-33(43)30-17-10-24-41(30)49(46,47)28-18-19-29(31(25-28)42(44)45)37-38-34(48)36-32(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-9,13-16,18-19,25,30,32,37H,10-12,17,20-24H2,1-3H3,(H3,35,36,38,43,48)
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0.310n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 by 50% in NG108-15 cell membranes


J Med Chem 45: 2160-72 (2002)


Article DOI: 10.1021/jm0111088
BindingDB Entry DOI: 10.7270/Q2X067SG
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419893
PNG
(CHEMBL1956869)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C34H46Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-6-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)40-17-15-39(16-18-40)14-7-19-41(3,4)5/h6,8-11,22,38H,7,12-21,23H2,1-5H3/q+1
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0.316n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419915
PNG
(CHEMBL1956865)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCCC4)CC3)c2n1
Show InChI InChI=1S/C33H41Cl2N4O5S/c1-23-21-24(2)36-31-25(23)7-6-8-28(31)44-22-26-27(34)9-10-29(30(26)35)45(41,42)37-33(11-19-43-20-12-33)32(40)38-13-17-39(18-14-38)15-4-3-5-16-39/h6-10,21,37H,3-5,11-20,22H2,1-2H3/q+1
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0.398n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50419894
PNG
(CHEMBL1956871)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(C[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C33H43Cl2N4O5S/c1-22-19-23(2)36-31-25(22)7-6-8-28(31)44-21-26-27(34)9-10-29(30(26)35)45(41,42)37-33(13-17-43-18-14-33)32(40)38-15-11-24(12-16-38)20-39(3,4)5/h6-10,19,24,37H,11-18,20-21H2,1-5H3/q+1
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0.398n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
BDKRB2


(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)


Article DOI: 10.1021/jm990961s
BindingDB Entry DOI: 10.7270/Q2S181QZ
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50121684
PNG
(CHEMBL3616944)
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)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=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-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]BK from B2R in guinea pig ileum membranes by liquid scintillation counting in based radioligand competition assay


Bioorg Med Chem Lett 25: 4148-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN
More data for this
Ligand-Target Pair
BDKRB2


(RAT)
BDBM50049949
PNG
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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)


Article DOI: 10.1021/jm9901529
BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair
BDKRB2


(RAT)
BDBM50113263
PNG
((S)-1-[4-(4-benzhydrylthiosemicarbazido)-3-nitrobe...)
Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H3,33,34,36,41,46)
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0.5n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 by 50% in NG108-15 cell membranes


J Med Chem 45: 2160-72 (2002)


Article DOI: 10.1021/jm0111088
BindingDB Entry DOI: 10.7270/Q2X067SG
More data for this
Ligand-Target Pair
BDKRB2


(RAT)
BDBM50409120
PNG
(CHEMBL2112044 | CHEMBL2112937)
Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(NN\C([S-])=[NH+]\C(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)
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0.5n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes


J Med Chem 43: 769-71 (2000)


Article DOI: 10.1021/jm991155o
BindingDB Entry DOI: 10.7270/Q2XD10W5
More data for this
Ligand-Target Pair
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