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Compile Data Set for Download or QSAR

Found 455 hits of ic50 data for polymerid = 49000286,49000287   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50293905
PNG
((S)-4-amino-5-(4-(4-(2,4-dichloro-3-((2,4-dimethyl...)
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 |r|
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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Jerini AG

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells


J Med Chem 52: 4370-9 (2009)


Article DOI: 10.1021/jm9002445
BindingDB Entry DOI: 10.7270/Q2KS6RKT
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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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146108
PNG
(Arg-Arg-Pro-Hyp-Gly-Thi-Cys-Tic-Oic-Arg | CHEMBL27...)
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](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37-,38-,39-,40-,41-,43-,44-,45+,46+/m0/s1
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
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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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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
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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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)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142956
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-pyrazol-1-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3cccn3)c2Cl)cc1
Show InChI InChI=1S/C34H30Cl2N6O4/c1-21-18-28(42-17-5-16-39-42)24-6-4-7-29(33(24)40-21)46-20-25-26(35)13-14-27(32(25)36)41(3)31(44)19-38-30(43)15-10-22-8-11-23(12-9-22)34(45)37-2/h4-18H,19-20H2,1-3H3,(H,37,45)(H,38,43)/b15-10+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142944
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-pyrazol-1-...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3cccn3)c2Cl)cc1
Show InChI InChI=1S/C35H32Cl2N6O4/c1-22-19-29(43-18-6-17-39-43)25-7-5-8-30(34(25)40-22)47-21-26-27(36)14-15-28(33(26)37)42(4)32(45)20-38-31(44)16-11-23-9-12-24(13-10-23)35(46)41(2)3/h5-19H,20-21H2,1-4H3,(H,38,44)/b16-11+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146893
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-qui...)
Show SMILES CCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
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n/an/a 0.190n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146905
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-methoxy-2-methyl-qu...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OC)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C32H30Cl2N4O5/c1-19-16-27(42-4)22-6-5-7-26(31(22)37-19)43-18-23-24(33)13-14-25(30(23)34)38(3)29(40)17-36-28(39)15-10-20-8-11-21(12-9-20)32(41)35-2/h5-16H,17-18H2,1-4H3,(H,35,41)(H,36,39)/b15-10+
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n/an/a 0.230n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142952
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-[1,2,4]tri...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3cncn3)c2Cl)cc1
Show InChI InChI=1S/C33H29Cl2N7O4/c1-20-15-27(42-19-37-18-39-42)23-5-4-6-28(32(23)40-20)46-17-24-25(34)12-13-26(31(24)35)41(3)30(44)16-38-29(43)14-9-21-7-10-22(11-8-21)33(45)36-2/h4-15,18-19H,16-17H2,1-3H3,(H,36,45)(H,38,43)/b14-9+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142951
PNG
(4-[3-({[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-q...)
Show SMILES CN(C(=O)CNC(=O)Nc1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-n2ccnc2)c1Cl
Show InChI InChI=1S/C36H30Cl2N8O4/c1-22-18-30(46-17-16-40-21-46)26-4-3-5-31(34(26)42-22)50-20-27-28(37)10-11-29(33(27)38)45(2)32(47)19-41-36(49)44-24-8-6-23(7-9-24)35(48)43-25-12-14-39-15-13-25/h3-18,21H,19-20H2,1-2H3,(H,39,43,48)(H2,41,44,49)
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142954
PNG
(4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1
Show InChI InChI=1S/C37H32Cl2N6O3/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3/h4-20,23H,21-22H2,1-3H3,(H,41,46)/b16-11+
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n/an/a 0.260n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human recombinant bradykinin B2 receptor expressed in CHO cells incubated for 2 hrs by liquid scintillation count...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.064
BindingDB Entry DOI: 10.7270/Q2V69NXT
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142954
PNG
(4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1
Show InChI InChI=1S/C37H32Cl2N6O3/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3/h4-20,23H,21-22H2,1-3H3,(H,41,46)/b16-11+
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n/an/a 0.260n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142949
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-imidazol-1-yl-2-met...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1
Show InChI InChI=1S/C34H30Cl2N6O4/c1-21-17-28(42-16-15-38-20-42)24-5-4-6-29(33(24)40-21)46-19-25-26(35)12-13-27(32(25)36)41(3)31(44)18-39-30(43)14-9-22-7-10-23(11-8-22)34(45)37-2/h4-17,20H,18-19H2,1-3H3,(H,37,45)(H,39,43)/b14-9+
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n/an/a 0.280n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142946
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-[1,2,3]tri...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnn3)c2Cl)cc1
Show InChI InChI=1S/C34H31Cl2N7O4/c1-21-18-28(43-17-16-38-40-43)24-6-5-7-29(33(24)39-21)47-20-25-26(35)13-14-27(32(25)36)42(4)31(45)19-37-30(44)15-10-22-8-11-23(12-9-22)34(46)41(2)3/h5-18H,19-20H2,1-4H3,(H,37,44)/b15-10+
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n/an/a 0.280n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142955
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-imidazol-1-yl-2-met...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1
Show InChI InChI=1S/C35H32Cl2N6O4/c1-22-18-29(43-17-16-38-21-43)25-6-5-7-30(34(25)40-22)47-20-26-27(36)13-14-28(33(26)37)42(4)32(45)19-39-31(44)15-10-23-8-11-24(12-9-23)35(46)41(2)3/h5-18,21H,19-20H2,1-4H3,(H,39,44)/b15-10+
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n/an/a 0.350n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50150940
PNG
(CHEMBL3774617)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
Show InChI InChI=1S/C41H34Cl2N6O4/c1-27-22-37(52-25-31-6-3-4-19-45-31)32-7-5-8-36(41(32)48-27)53-26-33-34(42)14-15-35(40(33)43)49(2)39(51)24-47-38(50)16-11-29-10-13-30(46-23-29)12-9-28-17-20-44-21-18-28/h3-23H,24-26H2,1-2H3,(H,47,50)/b12-9+,16-11+
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n/an/a 0.360n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at bradykinin B2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112948
BindingDB Entry DOI: 10.7270/Q2JW8JM8
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50150940
PNG
(CHEMBL3774617)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
Show InChI InChI=1S/C41H34Cl2N6O4/c1-27-22-37(52-25-31-6-3-4-19-45-31)32-7-5-8-36(41(32)48-27)53-26-33-34(42)14-15-35(40(33)43)49(2)39(51)24-47-38(50)16-11-29-10-13-30(46-23-29)12-9-28-17-20-44-21-18-28/h3-23H,24-26H2,1-2H3,(H,47,50)/b12-9+,16-11+
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n/an/a 0.360n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146907
PNG
(5-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)C(=O)N\C=C\c1ccncc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
Show InChI InChI=1S/C42H35Cl2N7O5/c1-27-22-37(55-25-30-6-3-4-18-46-30)31-7-5-8-36(41(31)50-27)56-26-32-33(43)11-13-35(40(32)44)51(2)39(53)24-49-38(52)14-10-29-9-12-34(48-23-29)42(54)47-21-17-28-15-19-45-20-16-28/h3-23H,24-26H2,1-2H3,(H,47,54)(H,49,52)/b14-10+,21-17+
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n/an/a 0.360n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]BK (1.0 nM) binding to the human bradykinin receptor B2, expressed in CHO cells


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146895
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
Show InChI InChI=1S/C41H34Cl2N6O5/c1-26-22-36(53-24-30-6-3-4-19-45-30)31-7-5-8-35(40(31)47-26)54-25-32-33(42)14-15-34(39(32)43)49(2)38(51)23-46-37(50)16-11-27-9-12-28(13-10-27)41(52)48-29-17-20-44-21-18-29/h3-22H,23-25H2,1-2H3,(H,46,50)(H,44,48,52)/b16-11+
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n/an/a 0.400n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]BK (1.0 nM) binding to the human bradykinin receptor B2, expressed in CHO cells


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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 0.410n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146899
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+
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n/an/a 0.410n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146899
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+
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TBA

Assay Description
Agonist activity at bradykinin B2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112948
BindingDB Entry DOI: 10.7270/Q2JW8JM8
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067917
PNG
((E)-N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-...)
Show SMILES Cc1ccc2cccc(OCc3c(ccc(c3N3CCCC3=O)-n3cccc3CNC(=O)\C=C\c3ccc(cc3)N3CCCC3=O)N3CCCC3=O)c2n1
Show InChI InChI=1S/C43H42N6O5/c1-29-13-17-31-7-2-9-37(42(31)45-29)54-28-34-35(48-25-5-11-40(48)52)20-21-36(43(34)49-26-6-12-41(49)53)46-23-3-8-33(46)27-44-38(50)22-16-30-14-18-32(19-15-30)47-24-4-10-39(47)51/h2-3,7-9,13-23H,4-6,10-12,24-28H2,1H3,(H,44,50)/b22-16+
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n/an/a 0.410n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146899
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+
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n/an/a 0.410n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]BK (1.0 nM) binding to the human bradykinin receptor B2, expressed in CHO cells


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142942
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-imidazol-1-yl-2-met...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-n2ccnc2)c1Cl
Show InChI InChI=1S/C38H31Cl2N7O4/c1-24-20-32(47-19-18-42-23-47)28-4-3-5-33(37(28)44-24)51-22-29-30(39)11-12-31(36(29)40)46(2)35(49)21-43-34(48)13-8-25-6-9-26(10-7-25)38(50)45-27-14-16-41-17-15-27/h3-20,23H,21-22H2,1-2H3,(H,43,48)(H,41,45,50)/b13-8+
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n/an/a 0.420n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50142953
PNG
(4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...)
Show SMILES Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(c3Cl)-n3cccc3CNC(=O)\C=C\c3ccc(cc3)C(=O)NCc3ccccn3)c2n1
Show InChI InChI=1S/C41H33Cl2N7O3/c1-27-22-36(49-21-19-44-26-49)32-8-4-9-37(40(32)48-27)53-25-33-34(42)15-16-35(39(33)43)50-20-5-7-31(50)24-46-38(51)17-12-28-10-13-29(14-11-28)41(52)47-23-30-6-2-3-18-45-30/h2-22,26H,23-25H2,1H3,(H,46,51)(H,47,52)/b17-12+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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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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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
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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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)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146111
PNG
(CHEMBL542173 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(4-d...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)cccc12
Show InChI InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-26(12-9-24)43-37(48)25-16-18-40-19-17-25/h5-20H,21-22H2,1-4H3,(H,41,46)(H,43,48)/b15-10+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146108
PNG
(Arg-Arg-Pro-Hyp-Gly-Thi-Cys-Tic-Oic-Arg | CHEMBL27...)
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](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37-,38-,39-,40-,41-,43-,44-,45+,46+/m0/s1
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
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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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
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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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067247
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C29H26BrCl2N5O4/c1-17-27(30)37-14-4-5-23(28(37)35-17)41-16-20-21(31)11-12-22(26(20)32)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38)/b13-8+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067247
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C29H26BrCl2N5O4/c1-17-27(30)37-14-4-5-23(28(37)35-17)41-16-20-21(31)11-12-22(26(20)32)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38)/b13-8+
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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)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067283
PNG
((E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)cc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-22-5-4-6-27(31(22)35-19)41-18-24-25(32)14-15-26(30(24)33)37(3)29(40)17-34-28(39)16-10-21-8-12-23(13-9-21)36-20(2)38/h4-16H,17-18H2,1-3H3,(H,34,39)(H,36,38)/b16-10+
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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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067247
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C29H26BrCl2N5O4/c1-17-27(30)37-14-4-5-23(28(37)35-17)41-16-20-21(31)11-12-22(26(20)32)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38)/b13-8+
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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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2 in guinea pig ileum membrane


J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
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Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
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n/an/a 0.510n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
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n/an/a 0.510n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146120
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C40H38Cl2N6O4/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-28(13-10-27)40(51)46-29-17-19-43-20-18-29/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,43,46,51)/b16-11+
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n/an/a 0.520n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067928
PNG
(CHEMBL544623 | N-{1-[3-(2-Methyl-quinolin-8-yloxym...)
Show SMILES Cc1ccc2cccc(OCc3c(\C=C\c4ccncc4)ccc(c3\C=C\c3ccncc3)-n3cccc3CNC(=O)\C=C\c3ccc(\C=C\c4ccncc4)nc3)c2n1
Show InChI InChI=1S/C51H41N7O2/c1-37-7-13-43-4-2-6-49(51(43)57-37)60-36-47-42(14-8-38-21-27-52-28-22-38)15-19-48(46(47)18-11-40-25-31-54-32-26-40)58-33-3-5-45(58)35-56-50(59)20-12-41-10-17-44(55-34-41)16-9-39-23-29-53-30-24-39/h2-34H,35-36H2,1H3,(H,56,59)/b14-8+,16-9+,18-11+,20-12+
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Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50293902
PNG
(1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H24F3N5O2/c1-17-9-11-32-23(15-36-13-5-7-22(27(36)37)28(29,30)31)21(17)16-38-25-8-4-6-19-20(14-18(2)34-26(19)25)24-10-12-33-35(24)3/h4-14H,15-16H2,1-3H3
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n/an/a 0.540n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization


J Med Chem 52: 4370-9 (2009)


Article DOI: 10.1021/jm9002445
BindingDB Entry DOI: 10.7270/Q2KS6RKT
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067274
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C33H30Cl2N4O4/c1-21-8-12-23-5-3-6-28(33(23)37-21)43-20-25-26(34)15-16-27(32(25)35)38(2)31(42)19-36-29(40)17-11-22-9-13-24(14-10-22)39-18-4-7-30(39)41/h3,5-6,8-17H,4,7,18-20H2,1-2H3,(H,36,40)/b17-11+
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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)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067932
PNG
((E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(N2CCCC2=O)c(COc2cccc3ccc(C)nc23)c1N1CCCC1=O
Show InChI InChI=1S/C41H42N6O6/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48)/b21-15+
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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)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50067923
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-{1-[2,4-bis-acety...)
Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(NC(C)=O)c(COc3cccc4ccc(C)nc34)c2NC(C)=O)cn1
Show InChI InChI=1S/C36H35N7O5/c1-22-10-13-27-7-5-9-32(35(27)39-22)48-21-29-30(40-23(2)44)14-15-31(36(29)42-25(4)46)43-18-6-8-28(43)20-38-34(47)17-12-26-11-16-33(37-19-26)41-24(3)45/h5-19H,20-21H2,1-4H3,(H,38,47)(H,40,44)(H,42,46)(H,37,41,45)/b17-12+
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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)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
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