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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B2 receptor' AND taxid = 10141   
Target
(Institution)
LigandTarget
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
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)

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


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

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)

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)

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)

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)

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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045210
PNG
(CHEMBL2370040 | D-Arg-Arg-Pro-Hyp-Calpha-methylGly...)
Show SMILES C[C@@](Cc1ccccc1)(NC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C62H93N19O13/c1-62(30-35-13-3-2-4-14-35,77-49(84)31-73-51(86)46-29-39(83)33-80(46)55(90)45-22-12-26-78(45)53(88)41(19-10-24-71-60(66)67)74-50(85)40(63)18-9-23-70-59(64)65)58(94)76-43(34-82)54(89)79-32-38-17-6-5-15-36(38)27-48(79)56(91)81-44-21-8-7-16-37(44)28-47(81)52(87)75-42(57(92)93)20-11-25-72-61(68)69/h2-6,13-15,17,37,39-48,82-83H,7-12,16,18-34,63H2,1H3,(H,73,86)(H,74,85)(H,75,87)(H,76,94)(H,77,84)(H,92,93)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37?,39-,40+,41-,42-,43-,44?,45-,46-,47-,48+,62-/m0/s1
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0.540n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074997
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[4-methoxy-...)
Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(NC(C)=O)nc2)c(SC)c1COc1cccc2ccc(C)nc12
Show InChI InChI=1S/C32H33N5O5S/c1-20-9-12-23-7-6-8-27(31(23)35-20)42-19-24-26(41-4)14-13-25(32(24)43-5)37(3)30(40)18-34-29(39)16-11-22-10-15-28(33-17-22)36-21(2)38/h6-17H,18-19H2,1-5H3,(H,34,39)(H,33,36,38)/b16-11+
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0.600n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50406749
PNG
(CHEMBL2028979)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(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)N[C@H](Cc1ccccc1)C(=O)N1[C@@H](CC2CCCCC12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C60H91N19O12/c61-38(19-9-25-68-58(62)63)49(82)73-39(20-10-26-69-59(64)65)54(87)78-29-13-24-46(78)56(89)77-28-12-23-45(77)52(85)71-33-48(81)72-41(30-35-14-3-1-4-15-35)50(83)76-43(34-80)51(84)75-42(31-36-16-5-2-6-17-36)55(88)79-44-22-8-7-18-37(44)32-47(79)53(86)74-40(57(90)91)21-11-27-70-60(66)67/h1-6,14-17,37-47,80H,7-13,18-34,61H2,(H,71,85)(H,72,81)(H,73,82)(H,74,86)(H,75,84)(H,76,83)(H,90,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t37?,38-,39+,40+,41+,42-,43+,44?,45+,46+,47+/m1/s1
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0.75n/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)

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=1/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-/s2
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1n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity to B2R in guinea pig ileum membranes


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

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074982
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES COc1cccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4sc(C)nc34)c2Cl)c1
Show InChI InChI=1S/C28H25Cl2N3O4S/c1-17-32-28-23(8-5-9-24(28)38-17)37-16-20-21(29)11-12-22(27(20)30)33(2)26(35)15-31-25(34)13-10-18-6-4-7-19(14-18)36-3/h4-14H,15-16H2,1-3H3,(H,31,34)/b13-10+
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1.30n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074993
PNG
((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C32H30F3N3O3/c1-20-8-16-27(22(3)26(20)19-41-28-7-5-6-24-13-9-21(2)37-31(24)28)38(4)30(40)18-36-29(39)17-12-23-10-14-25(15-11-23)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-12+
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1.30n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074983
PNG
((E)-N-({[2-Chloro-4-methoxy-3-(2-methyl-quinolin-8...)
Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)c(Cl)c1COc1cccc2ccc(C)nc12
Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(30(21)37-19)42-18-23-25(41-3)15-14-24(29(23)32)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+
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1.30n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045215
PNG
(CHEMBL2370010 | D-Arg-Arg-cyclo[Cys-Pro-Gly-Cys]-S...)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C53H83N19O12S2/c54-32(13-5-17-61-51(55)56)42(75)66-33(14-6-18-62-52(57)58)43(76)69-37-27-86-85-26-36(65-40(74)22-64-45(78)38-16-8-20-70(38)48(37)81)44(77)68-35(25-73)47(80)71-23-29-10-2-1-9-28(29)21-39(71)49(82)72-24-30-11-3-4-12-31(30)41(72)46(79)67-34(50(83)84)15-7-19-63-53(59)60/h1-2,9-10,30-39,41,73H,3-8,11-27,54H2,(H,64,78)(H,65,74)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,83,84)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t30?,31?,32-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1
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1.5n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074984
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C28H25Cl2N3O3S/c1-17-7-9-19(10-8-17)11-14-25(34)31-15-26(35)33(3)22-13-12-21(29)20(27(22)30)16-36-23-5-4-6-24-28(23)32-18(2)37-24/h4-14H,15-16H2,1-3H3,(H,31,34)/b14-11+
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1.80n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074992
PNG
((E)-N-({[4-Chloro-2-methoxy-3-(2-methyl-quinolin-8...)
Show SMILES COc1c(COc2cccc3ccc(C)nc23)c(Cl)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H27ClF3N3O4/c1-19-7-11-21-5-4-6-26(29(21)37-19)42-18-23-24(32)14-15-25(30(23)41-3)38(2)28(40)17-36-27(39)16-10-20-8-12-22(13-9-20)31(33,34)35/h4-16H,17-18H2,1-3H3,(H,36,39)/b16-10+
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2.5n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074980
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C28H22Cl2F3N3O3S/c1-16-35-27-22(4-3-5-23(27)40-16)39-15-19-20(29)11-12-21(26(19)30)36(2)25(38)14-34-24(37)13-8-17-6-9-18(10-7-17)28(31,32)33/h3-13H,14-15H2,1-2H3,(H,34,37)/b13-8+
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2.80n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074990
PNG
(4-[3-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-yl...)
Show SMILES CN(C(=O)CNC(=O)NCCCC(O)=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C26H26ClN5O5/c1-16-8-9-17-5-3-6-22(25(17)31-16)37-15-19-18(13-28)21(11-10-20(19)27)32(2)23(33)14-30-26(36)29-12-4-7-24(34)35/h3,5-6,8-11H,4,7,12,14-15H2,1-2H3,(H,34,35)(H2,29,30,36)
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2.90n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074991
PNG
((E)-Penta-2,4-dienoic acid ({[2,4-dichloro-3-(2-me...)
Show SMILES CN(C(=O)CNC(=O)\C=C\C=C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C23H21Cl2N3O3S/c1-4-5-9-20(29)26-12-21(30)28(3)17-11-10-16(24)15(22(17)25)13-31-18-7-6-8-19-23(18)27-14(2)32-19/h4-11H,1,12-13H2,2-3H3,(H,26,29)/b9-5+
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3.10n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074985
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccco1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C25H21Cl2N3O4S/c1-15-29-25-20(6-3-7-21(25)35-15)34-14-17-18(26)9-10-19(24(17)27)30(2)23(32)13-28-22(31)11-8-16-5-4-12-33-16/h3-12H,13-14H2,1-2H3,(H,28,31)/b11-8+
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3.40n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074998
PNG
((E)-N-({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymet...)
Show SMILES CCCOc1c(COc2cccc3ccc(C)nc23)c(OC)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H34F3N3O5/c1-5-19-44-33-26(21-45-29-8-6-7-24-13-9-22(2)39-32(24)29)28(43-4)17-16-27(33)40(3)31(42)20-38-30(41)18-12-23-10-14-25(15-11-23)34(35,36)37/h6-18H,5,19-21H2,1-4H3,(H,38,41)/b18-12+
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3.90n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074994
PNG
(5-[({[4-Methoxy-3-(2-methyl-quinolin-8-yloxymethyl...)
Show SMILES COC(=O)CCCCC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1SC
Show InChI InChI=1S/C29H35N3O6S/c1-19-13-14-20-9-8-10-24(28(20)31-19)38-18-21-23(36-3)16-15-22(29(21)39-5)32(2)26(34)17-30-25(33)11-6-7-12-27(35)37-4/h8-10,13-16H,6-7,11-12,17-18H2,1-5H3,(H,30,33)
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5.40n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074987
PNG
(CHEMBL113502 | N-[2-Cyano-4-methoxy-3-(2-methyl-qu...)
Show SMILES CCNC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C25H27N5O4/c1-5-27-25(32)28-14-23(31)30(3)20-11-12-21(33-4)19(18(20)13-26)15-34-22-8-6-7-17-10-9-16(2)29-24(17)22/h6-12H,5,14-15H2,1-4H3,(H2,27,28,32)
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6n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074979
PNG
((E)-3-(4-Methoxy-phenyl)-N-({methyl-[3-(2-methyl-q...)
Show SMILES COc1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(SC)c(COc3cccc4ccc(C)nc34)c2SC)cc1
Show InChI InChI=1S/C32H33N3O4S2/c1-21-9-13-23-7-6-8-27(31(23)34-21)39-20-25-28(40-4)17-16-26(32(25)41-5)35(2)30(37)19-33-29(36)18-12-22-10-14-24(38-3)15-11-22/h6-18H,19-20H2,1-5H3,(H,33,36)/b18-12+
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6.30n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074999
PNG
(CHEMBL114180 | N-[4-Chloro-2-cyano-3-(2-methyl-qui...)
Show SMILES CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C24H24ClN5O3/c1-4-27-24(32)28-13-22(31)30(3)20-11-10-19(25)18(17(20)12-26)14-33-21-7-5-6-16-9-8-15(2)29-23(16)21/h5-11H,4,13-14H2,1-3H3,(H2,27,28,32)
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8.30n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074996
PNG
(({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxyme...)
Show SMILES CN(C(=O)CNC(=O)OCc1ccccc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C26H23Cl2N3O4S/c1-16-30-25-21(9-6-10-22(25)36-16)34-15-18-19(27)11-12-20(24(18)28)31(2)23(32)13-29-26(33)35-14-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,29,33)
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9.10n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074981
PNG
((E)-N-({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-ylox...)
Show SMILES COc1ccc(N(C)C(=O)CNC(=O)\C=C\c2cccc(C)c2)c(OC)c1COc1cccc2ccc(C)nc12
Show InChI InChI=1S/C32H33N3O5/c1-21-8-6-9-23(18-21)13-17-29(36)33-19-30(37)35(3)26-15-16-27(38-4)25(32(26)39-5)20-40-28-11-7-10-24-14-12-22(2)34-31(24)28/h6-18H,19-20H2,1-5H3,(H,33,36)/b17-13+
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9.20n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045211
PNG
(CHEMBL2370011 | D-Arg-Arg-cyclo[Cys-Pro-Gly-Phe-Cy...)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C59H87N19O11S2/c60-38(18-8-22-67-57(61)62)48(80)72-39(19-9-23-68-58(63)64)49(81)74-42-31-90-91-32-43(75-50(82)41(26-33-12-2-1-3-13-33)71-46(79)28-70-51(83)44-21-11-25-76(44)53(42)85)54(86)77-29-35-15-5-4-14-34(35)27-45(77)55(87)78-30-36-16-6-7-17-37(36)47(78)52(84)73-40(56(88)89)20-10-24-69-59(65)66/h1-5,12-15,36-45,47H,6-11,16-32,60H2,(H,70,83)(H,71,79)(H,72,80)(H,73,84)(H,74,81)(H,75,82)(H,88,89)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t36?,37?,38-,39+,40+,41+,42+,43+,44+,45-,47+/m1/s1
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15n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045213
PNG
(CHEMBL2370042 | D-Arg-Arg-Pro-Hyp-N-methylGly-Phe-...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C(=O)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N
Show InChI InChI=1S/C62H93N19O13/c1-77(50(84)31-73-52(86)47-30-39(83)33-80(47)57(91)45-22-12-26-78(45)55(89)41(19-10-24-71-61(66)67)74-51(85)40(63)18-9-23-70-60(64)65)46(27-35-13-3-2-4-14-35)53(87)76-43(34-82)56(90)79-32-38-17-6-5-15-36(38)28-49(79)58(92)81-44-21-8-7-16-37(44)29-48(81)54(88)75-42(59(93)94)20-11-25-72-62(68)69/h2-6,13-15,17,37,39-49,82-83H,7-12,16,18-34,63H2,1H3,(H,73,86)(H,74,85)(H,75,88)(H,76,87)(H,93,94)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37?,39-,40+,41-,42-,43-,44?,45-,46-,47-,48-,49+/m0/s1
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26n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045208
PNG
(CHEMBL2370028 | D-Arg-Arg-Pro-Hyp-Calpha-methylGly...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N
Show InChI InChI=1S/C62H93N19O13/c1-77(56(90)49-30-39(83)32-80(49)57(91)46-22-12-26-78(46)54(88)41(19-10-24-71-61(66)67)74-51(85)40(63)18-9-23-70-60(64)65)33-50(84)73-43(27-35-13-3-2-4-14-35)52(86)76-44(34-82)55(89)79-31-38-17-6-5-15-36(38)28-48(79)58(92)81-45-21-8-7-16-37(45)29-47(81)53(87)75-42(59(93)94)20-11-25-72-62(68)69/h2-6,13-15,17,37,39-49,82-83H,7-12,16,18-34,63H2,1H3,(H,73,84)(H,74,85)(H,75,87)(H,76,86)(H,93,94)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37?,39-,40+,41-,42-,43-,44-,45?,46-,47-,48+,49-/m0/s1
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31n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074995
PNG
((E)-N-({[2-Methoxy-3-(2-methyl-quinolin-8-yloxymet...)
Show SMILES COc1c(COc2cccc3ccc(C)nc23)c(SC)ccc1N(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H30F3N3O4S/c1-20-8-12-22-6-5-7-26(30(22)37-20)42-19-24-27(43-4)16-15-25(31(24)41-3)38(2)29(40)18-36-28(39)17-11-21-9-13-23(14-10-21)32(33,34)35/h5-17H,18-19H2,1-4H3,(H,36,39)/b17-11+
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45n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045212
PNG
(CHEMBL2370041 | D-Arg-Arg-Pro-Hyp-Gly-Phe-Ser-D-Ti...)
Show SMILES CC(NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C62H93N19O13/c1-34(73-53(87)47-30-39(83)32-80(47)57(91)46-22-12-26-78(46)55(89)41(19-10-24-71-61(66)67)74-51(85)40(63)18-9-23-70-60(64)65)50(84)76-43(27-35-13-3-2-4-14-35)52(86)77-44(33-82)56(90)79-31-38-17-6-5-15-36(38)28-49(79)58(92)81-45-21-8-7-16-37(45)29-48(81)54(88)75-42(59(93)94)20-11-25-72-62(68)69/h2-6,13-15,17,34,37,39-49,82-83H,7-12,16,18-33,63H2,1H3,(H,73,87)(H,74,85)(H,75,88)(H,76,84)(H,77,86)(H,93,94)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34?,37?,39-,40+,41-,42-,43-,44-,45?,46-,47-,48-,49+/m0/s1
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82n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074988
PNG
((E)-N-({[3-(Benzothiazol-4-yloxymethyl)-2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3scnc23)c1Cl
Show InChI InChI=1S/C27H23Cl2N3O3S/c1-17-6-8-18(9-7-17)10-13-24(33)30-14-25(34)32(2)21-12-11-20(28)19(26(21)29)15-35-22-4-3-5-23-27(22)31-16-36-23/h3-13,16H,14-15H2,1-2H3,(H,30,33)/b13-10+
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160n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50290544
PNG
(2-({1-[2-((S)-2-{12-[(S)-2-((R)-2-Amino-5-guanidin...)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCc2ccccc2C1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H88N16O9/c53-36(20-14-27-61-50(54)55)44(71)65-37(21-15-28-62-51(56)57)45(72)60-26-13-7-5-3-1-2-4-6-8-24-42(70)64-39(32-69)47(74)67-30-25-33-17-9-11-19-35(33)43(67)48(75)68-40-23-12-10-18-34(40)31-41(68)46(73)66-38(49(76)77)22-16-29-63-52(58)59/h9,11,17,19,34,36-41,43,69H,1-8,10,12-16,18,20-32,53H2,(H,60,72)(H,64,70)(H,65,71)(H,66,73)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t34?,36-,37+,38?,39+,40?,41?,43?/m1/s1
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against [3H]-BK in the classical guinea pig ileum B2 binding assay


Bioorg Med Chem Lett 7: 2661-2664 (1997)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50036834
PNG
(CHEMBL262639 | D-Arg-Arg-(12-aminododecanoyl)-Ser-...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCc2ccccc2C1C(=O)N1CC(C2CCCCC12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H88N16O9/c53-37(20-14-27-61-50(54)55)45(72)65-38(21-15-28-62-51(56)57)46(73)60-26-13-7-5-3-1-2-4-6-8-24-42(70)64-40(32-69)47(74)67-30-25-33-17-9-10-18-34(33)43(67)48(75)68-31-36(35-19-11-12-23-41(35)68)44(71)66-39(49(76)77)22-16-29-63-52(58)59/h9-10,17-18,35-41,43,69H,1-8,11-16,19-32,53H2,(H,60,73)(H,64,70)(H,65,72)(H,66,71)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t35?,36?,37-,38-,39-,40-,41?,43?/m0/s1
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360n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50074989
PNG
((E)-N-({[2,4-Dichloro-3-(2-phenyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(nc23)-c2ccccc2)c1Cl
Show InChI InChI=1S/C33H27Cl2N3O3S/c1-21-11-13-22(14-12-21)15-18-29(39)36-19-30(40)38(2)26-17-16-25(34)24(31(26)35)20-41-27-9-6-10-28-32(27)37-33(42-28)23-7-4-3-5-8-23/h3-18H,19-20H2,1-2H3,(H,36,39)/b18-15+
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1.30E+3n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045209
PNG
(CHEMBL2370038 | D-Arg-Arg-Pro-Hyp-N-methylGly-N-me...)
Show SMILES CN(CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N
Show InChI InChI=1S/C63H95N19O13/c1-77(57(91)50-31-40(84)33-81(50)58(92)46-23-13-27-79(46)55(89)42(20-11-25-72-62(67)68)74-52(86)41(64)19-10-24-71-61(65)66)34-51(85)78(2)47(28-36-14-4-3-5-15-36)53(87)76-44(35-83)56(90)80-32-39-18-7-6-16-37(39)29-49(80)59(93)82-45-22-9-8-17-38(45)30-48(82)54(88)75-43(60(94)95)21-12-26-73-63(69)70/h3-7,14-16,18,38,40-50,83-84H,8-13,17,19-35,64H2,1-2H3,(H,74,86)(H,75,88)(H,76,87)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t38?,40-,41+,42-,43-,44-,45?,46-,47-,48-,49+,50-/m0/s1
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1.69E+3n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50045214
PNG
(CHEMBL2370035 | D-Arg-Arg-Pro-Hyp-Gly-N-methylPhe-...)
Show SMILES CC(NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C63H95N19O13/c1-35(74-52(87)47-30-40(84)33-81(47)56(91)46-23-13-27-79(46)54(89)42(20-11-25-72-61(67)68)75-51(86)41(64)19-10-24-71-60(65)66)50(85)78-63(2,31-36-14-4-3-5-15-36)59(95)77-44(34-83)55(90)80-32-39-18-7-6-16-37(39)28-49(80)57(92)82-45-22-9-8-17-38(45)29-48(82)53(88)76-43(58(93)94)21-12-26-73-62(69)70/h3-7,14-16,18,35,38,40-49,83-84H,8-13,17,19-34,64H2,1-2H3,(H,74,87)(H,75,86)(H,76,88)(H,77,95)(H,78,85)(H,93,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t35?,38?,40-,41+,42-,43-,44-,45?,46-,47-,48-,49+,63-/m0/s1
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3.03E+3n/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)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
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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n/an/a 0.0900n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
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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n/an/a 0.0900n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067317
PNG
(CHEMBL553614 | N-({[2,4-Dichloro-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C32H29Cl2N5O4/c1-20-8-11-22-5-3-6-26(32(22)37-20)43-19-23-24(33)12-13-25(31(23)34)38(2)30(42)18-36-28(40)15-10-21-9-14-27(35-17-21)39-16-4-7-29(39)41/h3,5-6,8-15,17H,4,7,16,18-19H2,1-2H3,(H,36,40)/b15-10+
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n/an/a 0.130n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067929
PNG
(4-(2-{[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloyl...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(C(=O)N(C)C)c(COc3cccc4ccc(C)nc34)c2C(=O)N(C)C)cc1
Show InChI InChI=1S/C40H42N6O5/c1-26-13-17-28-10-8-12-34(37(28)42-26)51-25-32-31(39(49)44(4)5)20-21-33(36(32)40(50)45(6)7)46-23-9-11-30(46)24-41-35(47)22-16-27-14-18-29(19-15-27)38(48)43(2)3/h8-23H,24-25H2,1-7H3,(H,41,47)/b22-16+
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n/an/a 0.25n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)

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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n/an/a 0.300n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from guinea pig B2 receptor


J Med Chem 52: 4370-9 (2009)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067263
PNG
(5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-26(29)37-12-4-5-22(27(37)35-16)41-15-18-19(30)8-10-21(25(18)31)36(3)24(39)14-34-23(38)11-7-17-6-9-20(33-13-17)28(40)32-2/h4-13H,14-15H2,1-3H3,(H,32,40)(H,34,38)/b11-7+
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n/an/a 0.360n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067242
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38)/b11-7+
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n/an/a 0.380n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067248
PNG
(5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C29H27BrCl2N6O4/c1-17-27(30)38-13-5-6-23(28(38)35-17)42-16-19-20(31)9-11-22(26(19)32)37(4)25(40)15-34-24(39)12-8-18-7-10-21(33-14-18)29(41)36(2)3/h5-14H,15-16H2,1-4H3,(H,34,39)/b12-8+
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n/an/a 0.440n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067301
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
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n/an/a 0.460n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)

More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067301
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
MMDB

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n/an/a 0.460n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)

More data for this
Ligand-Target Pair
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