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Compile Data Set for Download or QSAR

Found 127 hits Enz. Inhib. hit(s) with all data for entry = 50036663   
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
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


(Cavia porcellus)
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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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)


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


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


(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 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 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


(Cavia porcellus)
BDBM50067305
PNG
((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C35H36N4O4/c1-23-10-18-30(25(3)29(23)22-43-31-8-5-7-27-15-11-24(2)37-35(27)31)38(4)34(42)21-36-32(40)19-14-26-12-16-28(17-13-26)39-20-6-9-33(39)41/h5,7-8,10-19H,6,9,20-22H2,1-4H3,(H,36,40)/b19-14+
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n/an/a 0.470n/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))
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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n/an/a 0.490n/an/an/an/an/an/a



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


(Cavia porcellus)
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


(Cavia porcellus)
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))
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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n/an/a 0.5n/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


(Cavia porcellus)
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 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


(Cavia porcellus)
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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n/an/a 0.550n/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))
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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n/an/a 0.550n/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


(Cavia porcellus)
BDBM50067294
PNG
(4-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccnc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C35H29Cl2N5O4/c1-22-8-12-24-5-3-7-30(34(24)40-22)46-21-27-28(36)15-16-29(33(27)37)42(2)32(44)20-39-31(43)17-11-23-9-13-25(14-10-23)35(45)41-26-6-4-18-38-19-26/h3-19H,20-21H2,1-2H3,(H,39,43)(H,41,45)/b17-11+
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n/an/a 0.620n/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


(Cavia porcellus)
BDBM50067289
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1C
Show InChI InChI=1S/C29H28Cl2N6O5/c1-17(38)34-24-12-8-18(14-32-24)9-13-25(39)33-15-26(40)36(2)21-11-10-20(30)19(27(21)31)16-42-23-7-5-6-22-28(23)35-29(41-4)37(22)3/h5-14H,15-16H2,1-4H3,(H,33,39)(H,32,34,38)/b13-9+
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n/an/a 0.650n/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))
BDBM50067289
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1C
Show InChI InChI=1S/C29H28Cl2N6O5/c1-17(38)34-24-12-8-18(14-32-24)9-13-25(39)33-15-26(40)36(2)21-11-10-20(30)19(27(21)31)16-42-23-7-5-6-22-28(23)35-29(41-4)37(22)3/h5-14H,15-16H2,1-4H3,(H,33,39)(H,32,34,38)/b13-9+
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n/an/a 0.650n/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


(Cavia porcellus)
BDBM50067251
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+
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n/an/a 0.660n/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


(Cavia porcellus)
BDBM50067290
PNG
(5-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-20-5-4-6-25(29(20)36-18)41-17-21-22(31)11-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-8-12-23(34-15-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
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n/an/a 0.680n/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))
BDBM50067290
PNG
(5-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-20-5-4-6-25(29(20)36-18)41-17-21-22(31)11-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-8-12-23(34-15-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
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n/an/a 0.680n/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


(Cavia porcellus)
BDBM50067308
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccccc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C29H25Cl2N3O3/c1-19-11-13-21-9-6-10-25(29(21)33-19)37-18-22-23(30)14-15-24(28(22)31)34(2)27(36)17-32-26(35)16-12-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,32,35)/b16-12+
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n/an/a 0.690n/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))
BDBM50067308
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccccc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C29H25Cl2N3O3/c1-19-11-13-21-9-6-10-25(29(21)33-19)37-18-22-23(30)14-15-24(28(22)31)34(2)27(36)17-32-26(35)16-12-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,32,35)/b16-12+
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n/an/a 0.690n/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))
BDBM50067296
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C35H29Cl2N5O3/c1-23-6-10-26-4-3-5-31(35(26)41-23)45-22-28-29(36)13-14-30(34(28)37)42(2)33(44)21-40-32(43)15-9-25-8-12-27(39-20-25)11-7-24-16-18-38-19-17-24/h3-20H,21-22H2,1-2H3,(H,40,43)/b11-7+,15-9+
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n/an/a 0.760n/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


(Cavia porcellus)
BDBM50067296
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C35H29Cl2N5O3/c1-23-6-10-26-4-3-5-31(35(26)41-23)45-22-28-29(36)13-14-30(34(28)37)42(2)33(44)21-40-32(43)15-9-25-8-12-27(39-20-25)11-7-24-16-18-38-19-17-24/h3-20H,21-22H2,1-2H3,(H,40,43)/b11-7+,15-9+
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n/an/a 0.760n/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))
BDBM50067280
PNG
(CHEMBL542958 | N-({[2,4-Dichloro-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1cccnc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C28H24Cl2N4O3/c1-18-8-10-20-6-3-7-24(28(20)33-18)37-17-21-22(29)11-12-23(27(21)30)34(2)26(36)16-32-25(35)13-9-19-5-4-14-31-15-19/h3-15H,16-17H2,1-2H3,(H,32,35)/b13-9+
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n/an/a 0.790n/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


(Cavia porcellus)
BDBM50067280
PNG
(CHEMBL542958 | N-({[2,4-Dichloro-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1cccnc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C28H24Cl2N4O3/c1-18-8-10-20-6-3-7-24(28(20)33-18)37-17-21-22(29)11-12-23(27(21)30)34(2)26(36)16-32-25(35)13-9-19-5-4-14-31-15-19/h3-15H,16-17H2,1-2H3,(H,32,35)/b13-9+
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n/an/a 0.790n/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


(Cavia porcellus)
BDBM50067310
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C32H33N5O4/c1-20-9-14-27(22(3)26(20)19-41-28-8-6-7-25-13-10-21(2)35-32(25)28)37(5)31(40)18-34-30(39)16-12-24-11-15-29(33-17-24)36-23(4)38/h6-17H,18-19H2,1-5H3,(H,34,39)(H,33,36,38)/b16-12+
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n/an/a 0.820n/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


(Cavia porcellus)
BDBM50067318
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(OC)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N5O5/c1-33-29(40)19-11-8-18(9-12-19)10-15-25(38)34-16-26(39)36(2)22-14-13-21(31)20(27(22)32)17-42-24-7-5-6-23-28(24)35-30(41-4)37(23)3/h5-15H,16-17H2,1-4H3,(H,33,40)(H,34,38)/b15-10+
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n/an/a 0.830n/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))
BDBM50067318
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(OC)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N5O5/c1-33-29(40)19-11-8-18(9-12-19)10-15-25(38)34-16-26(39)36(2)22-14-13-21(31)20(27(22)32)17-42-24-7-5-6-23-28(24)35-30(41-4)37(23)3/h5-15H,16-17H2,1-4H3,(H,33,40)(H,34,38)/b15-10+
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n/an/a 0.830n/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


(Cavia porcellus)
BDBM50067293
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(2-metho...)
Show SMILES COc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3C)cccc2n1C
Show InChI InChI=1S/C31H34N6O5/c1-19-10-13-24(20(2)23(19)18-42-26-9-7-8-25-30(26)35-31(41-6)37(25)5)36(4)29(40)17-33-28(39)15-12-22-11-14-27(32-16-22)34-21(3)38/h7-16H,17-18H2,1-6H3,(H,33,39)(H,32,34,38)/b15-12+
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n/an/a 0.940n/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


(Cavia porcellus)
BDBM50067297
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H...)
Show SMILES COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)N(C)C)c3Cl)cccc2n1C
Show InChI InChI=1S/C31H31Cl2N5O5/c1-36(2)30(41)20-12-9-19(10-13-20)11-16-26(39)34-17-27(40)37(3)23-15-14-22(32)21(28(23)33)18-43-25-8-6-7-24-29(25)35-31(42-5)38(24)4/h6-16H,17-18H2,1-5H3,(H,34,39)/b16-11+
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n/an/a 0.940n/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


(Cavia porcellus)
BDBM50067287
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
Show InChI InChI=1S/C33H34N4O4/c1-21-9-17-28(23(3)27(21)20-41-29-8-6-7-25-14-10-22(2)36-32(25)29)37(5)31(39)19-35-30(38)18-13-24-11-15-26(16-12-24)33(40)34-4/h6-18H,19-20H2,1-5H3,(H,34,40)(H,35,38)/b18-13+
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n/an/a 0.970n/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


(Cavia porcellus)
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
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n/an/a 1n/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))
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 1.10n/an/an/an/an/an/a



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


(Cavia porcellus)
BDBM50067284
PNG
((E)-N-({[2,4-Dichloro-3-(3-methyl-quinoxalin-5-ylo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ncc(C)nc23)c1Cl
Show InChI InChI=1S/C32H29Cl2N5O4/c1-20-17-35-25-5-3-6-27(32(25)37-20)43-19-23-24(33)13-14-26(31(23)34)38(2)30(42)18-36-28(40)15-10-21-8-11-22(12-9-21)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 1.10n/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


(Cavia porcellus)
BDBM50067302
PNG
(4-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C35H29Cl2N5O4/c1-22-6-10-24-4-3-5-30(34(24)40-22)46-21-27-28(36)13-14-29(33(27)37)42(2)32(44)20-39-31(43)15-9-23-7-11-25(12-8-23)35(45)41-26-16-18-38-19-17-26/h3-19H,20-21H2,1-2H3,(H,39,43)(H,38,41,45)/b15-9+
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n/an/a 1.10n/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))
BDBM50067302
PNG
(4-{2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C35H29Cl2N5O4/c1-22-6-10-24-4-3-5-30(34(24)40-22)46-21-27-28(36)13-14-29(33(27)37)42(2)32(44)20-39-31(43)15-9-23-7-11-25(12-8-23)35(45)41-26-16-18-38-19-17-26/h3-19H,20-21H2,1-2H3,(H,39,43)(H,38,41,45)/b15-9+
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n/an/a 1.10n/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


(Cavia porcellus)
BDBM50067312
PNG
(3-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CN(C)C(=O)c1cccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)c1
Show InChI InChI=1S/C32H30Cl2N4O4/c1-20-11-13-22-8-6-10-27(31(22)36-20)42-19-24-25(33)14-15-26(30(24)34)38(4)29(40)18-35-28(39)16-12-21-7-5-9-23(17-21)32(41)37(2)3/h5-17H,18-19H2,1-4H3,(H,35,39)/b16-12+
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n/an/a 1.10n/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))
BDBM50067295
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C32H30Cl2N4O4/c1-20-8-12-22-6-5-7-27(31(22)36-20)42-19-24-25(33)15-16-26(30(24)34)38(4)29(40)18-35-28(39)17-11-21-9-13-23(14-10-21)32(41)37(2)3/h5-17H,18-19H2,1-4H3,(H,35,39)/b17-11+
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n/an/a 1.30n/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))
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 1.30n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK (1.2 nM) to A-431 cells (human epidermoidcarcinoma) which express Bradykinin receptor B2...


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


(Cavia porcellus)
BDBM50067295
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C32H30Cl2N4O4/c1-20-8-12-22-6-5-7-27(31(22)36-20)42-19-24-25(33)15-16-26(30(24)34)38(4)29(40)18-35-28(39)17-11-21-9-13-23(14-10-21)32(41)37(2)3/h5-17H,18-19H2,1-4H3,(H,35,39)/b17-11+
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n/an/a 1.30n/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


(Cavia porcellus)
BDBM50067276
PNG
(CHEMBL542479 | N-({[2,4-Dimethyl-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C34H35N5O4/c1-22-10-15-28(24(3)27(22)21-43-29-8-5-7-26-14-11-23(2)37-34(26)29)38(4)33(42)20-36-31(40)17-13-25-12-16-30(35-19-25)39-18-6-9-32(39)41/h5,7-8,10-17,19H,6,9,18,20-21H2,1-4H3,(H,36,40)/b17-13+
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n/an/a 1.40n/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))
BDBM50067276
PNG
(CHEMBL542479 | N-({[2,4-Dimethyl-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C34H35N5O4/c1-22-10-15-28(24(3)27(22)21-43-29-8-5-7-26-14-11-23(2)37-34(26)29)38(4)33(42)20-36-31(40)17-13-25-12-16-30(35-19-25)39-18-6-9-32(39)41/h5,7-8,10-17,19H,6,9,18,20-21H2,1-4H3,(H,36,40)/b17-13+
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n/an/a 1.40n/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))
BDBM50067251
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK (1.2 nM) to A-431 cells (human epidermoidcarcinoma) which express Bradykinin receptor B2...


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


(Cavia porcellus)
BDBM50067299
PNG
(4-{(E)-2-[({[3-(2-Methoxy-1-methyl-1H-benzoimidazo...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(OC)nc34)c2C)cc1
Show InChI InChI=1S/C32H35N5O5/c1-20-10-16-25(21(2)24(20)19-42-27-9-7-8-26-30(27)35-32(41-6)37(26)5)36(4)29(39)18-34-28(38)17-13-22-11-14-23(15-12-22)31(40)33-3/h7-17H,18-19H2,1-6H3,(H,33,40)(H,34,38)/b17-13+
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n/an/a 1.60n/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))
BDBM50067299
PNG
(4-{(E)-2-[({[3-(2-Methoxy-1-methyl-1H-benzoimidazo...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(OC)nc34)c2C)cc1
Show InChI InChI=1S/C32H35N5O5/c1-20-10-16-25(21(2)24(20)19-42-27-9-7-8-26-30(27)35-32(41-6)37(26)5)36(4)29(39)18-34-28(38)17-13-22-11-14-23(15-12-22)31(40)33-3/h7-17H,18-19H2,1-6H3,(H,33,40)(H,34,38)/b17-13+
PDB

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n/an/a 1.60n/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))
BDBM50067315
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H29Cl2N5O4/c1-19-16-34-24-6-5-7-26(30(24)36-19)42-18-22-23(32)13-14-25(29(22)33)38(4)28(40)17-35-27(39)15-10-20-8-11-21(12-9-20)31(41)37(2)3/h5-16H,17-18H2,1-4H3,(H,35,39)/b15-10+
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n/an/a 1.90n/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


(Cavia porcellus)
BDBM50067315
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H29Cl2N5O4/c1-19-16-34-24-6-5-7-26(30(24)36-19)42-18-22-23(32)13-14-25(29(22)33)38(4)28(40)17-35-27(39)15-10-20-8-11-21(12-9-20)31(41)37(2)3/h5-16H,17-18H2,1-4H3,(H,35,39)/b15-10+
MMDB

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PubMed
n/an/a 1.90n/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))
BDBM50067251
PNG
(4-{(E)-2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyr...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+
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PubMed
n/an/a 2.20n/an/an/an/an/an/a



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
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