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PubMed code 15027853

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BDKRB2


(HUMAN)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 0.0900n/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
BDKRB2


(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
BDKRB2


(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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n/an/a 0.180n/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
BDKRB2


(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
BDKRB2


(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
BDKRB2


(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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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
BDKRB2


(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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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
BDKRB2


(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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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
BDKRB2


(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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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
BDKRB2


(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
BDKRB2


(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
BDKRB2


(HUMAN)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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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
BDKRB2


(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
BDKRB2


(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
BDKRB2


(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
BDKRB2


(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 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
BDKRB2


(HUMAN)
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 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
BDKRB2


(HUMAN)
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 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
BDKRB2


(HUMAN)
BDBM50142948
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-4-phenyl-qui...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c(cc(C)nc34)-c3ccccc3)c2C)cc1
Show InChI InChI=1S/C39H38N4O4/c1-25-14-20-34(43(5)37(45)23-41-36(44)21-17-28-15-18-30(19-16-28)39(46)40-4)27(3)33(25)24-47-35-13-9-12-31-32(22-26(2)42-38(31)35)29-10-7-6-8-11-29/h6-22H,23-24H2,1-5H3,(H,40,46)(H,41,44)/b21-17+
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n/an/a 1n/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
BDKRB2


(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 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
BDKRB2


(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 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
BDKRB2


(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 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
BDKRB2


(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+
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n/an/a 1.60n/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
BDKRB2


(HUMAN)
BDBM50142950
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(C)C)c2Cl)cc1
Show InChI InChI=1S/C33H33Cl2N5O4/c1-20-17-27(39(3)4)23-7-6-8-28(32(23)38-20)44-19-24-25(34)14-15-26(31(24)35)40(5)30(42)18-37-29(41)16-11-21-9-12-22(13-10-21)33(43)36-2/h6-17H,18-19H2,1-5H3,(H,36,43)(H,37,41)/b16-11+
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n/an/a 1.80n/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
BDKRB2


(HUMAN)
BDBM50142945
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(C)C)c2Cl)cc1
Show InChI InChI=1S/C34H35Cl2N5O4/c1-21-18-28(39(2)3)24-8-7-9-29(33(24)38-21)45-20-25-26(35)15-16-27(32(25)36)41(6)31(43)19-37-30(42)17-12-22-10-13-23(14-11-22)34(44)40(4)5/h7-18H,19-20H2,1-6H3,(H,37,42)/b17-12+
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n/an/a 2.10n/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
BDKRB2


(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 2.20n/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
BDKRB2


(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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n/an/a 2.70n/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
BDKRB2


(HUMAN)
BDBM50142945
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(C)C)c2Cl)cc1
Show InChI InChI=1S/C34H35Cl2N5O4/c1-21-18-28(39(2)3)24-8-7-9-29(33(24)38-21)45-20-25-26(35)15-16-27(32(25)36)41(6)31(43)19-37-30(42)17-12-22-10-13-23(14-11-22)34(44)40(4)5/h7-18H,19-20H2,1-6H3,(H,37,42)/b17-12+
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n/an/a 2.90n/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
BDKRB2


(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 3n/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
BDKRB2


(HUMAN)
BDBM50142948
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-4-phenyl-qui...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c(cc(C)nc34)-c3ccccc3)c2C)cc1
Show InChI InChI=1S/C39H38N4O4/c1-25-14-20-34(43(5)37(45)23-41-36(44)21-17-28-15-18-30(19-16-28)39(46)40-4)27(3)33(25)24-47-35-13-9-12-31-32(22-26(2)42-38(31)35)29-10-7-6-8-11-29/h6-22H,23-24H2,1-5H3,(H,40,46)(H,41,44)/b21-17+
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n/an/a 3.10n/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
BDKRB2


(HUMAN)
BDBM50142950
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(C)C)c2Cl)cc1
Show InChI InChI=1S/C33H33Cl2N5O4/c1-20-17-27(39(3)4)23-7-6-8-28(32(23)38-20)44-19-24-25(34)14-15-26(31(24)35)40(5)30(42)18-37-29(41)16-11-21-9-12-22(13-10-21)33(43)36-2/h6-17H,18-19H2,1-5H3,(H,36,43)(H,37,41)/b16-11+
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n/an/a 3.20n/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
BDKRB2


(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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n/an/a 3.30n/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
BDKRB2


(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 3.70n/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
BDKRB2


(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 3.90n/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
BDKRB2


(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 4.30n/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
BDKRB2


(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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n/an/a 4.40n/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
BDKRB2


(HUMAN)
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 4.80n/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
BDKRB2


(HUMAN)
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 5.20n/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
BDKRB2


(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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n/an/a 6n/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
BDKRB2


(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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n/an/a 6.60n/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
BDKRB2


(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+
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n/an/a 7.20n/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
BDKRB2


(HUMAN)
BDBM50067269
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-ethyl-1-methyl-1H-b...)
Show SMILES CCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc2n1C
Show InChI InChI=1S/C31H31Cl2N5O4/c1-5-26-36-30-24(37(26)3)7-6-8-25(30)42-18-21-22(32)14-15-23(29(21)33)38(4)28(40)17-35-27(39)16-11-19-9-12-20(13-10-19)31(41)34-2/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
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n/an/a 8.70n/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
BDKRB2


(HUMAN)
BDBM50067306
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(1-ethyl-2-methyl-1H-b...)
Show SMILES CCn1c(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C31H31Cl2N5O4/c1-5-38-19(2)36-30-25(38)7-6-8-26(30)42-18-22-23(32)14-15-24(29(22)33)37(4)28(40)17-35-27(39)16-11-20-9-12-21(13-10-20)31(41)34-3/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
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n/an/a 8.90n/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
BDKRB2


(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 9n/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
BDKRB2


(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 9.10n/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
BDKRB2


(HUMAN)
BDBM50067303
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(1,2-dimethyl-1H-benzo...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N5O4/c1-18-35-29-24(36(18)3)6-5-7-25(29)41-17-21-22(31)13-14-23(28(21)32)37(4)27(39)16-34-26(38)15-10-19-8-11-20(12-9-19)30(40)33-2/h5-15H,16-17H2,1-4H3,(H,33,40)(H,34,38)/b15-10+
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n/an/a 9.10n/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
BDKRB2


(HUMAN)
BDBM50067321
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylsulf...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(SC)nc34)c2C)cc1
Show InChI InChI=1S/C32H35N5O4S/c1-20-10-16-25(21(2)24(20)19-41-27-9-7-8-26-30(27)35-32(42-6)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 9.5n/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
BDKRB2


(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 17n/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
BDKRB2


(HUMAN)
BDBM50067269
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-ethyl-1-methyl-1H-b...)
Show SMILES CCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc2n1C
Show InChI InChI=1S/C31H31Cl2N5O4/c1-5-26-36-30-24(37(26)3)7-6-8-25(30)42-18-21-22(32)14-15-23(29(21)33)38(4)28(40)17-35-27(39)16-11-19-9-12-20(13-10-19)31(41)34-2/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
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n/an/a 22n/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
BDKRB2


(HUMAN)
BDBM50067285
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2,3-dimethyl-benzofur...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(C)c(C)oc34)c2Cl)cc1
Show InChI InChI=1S/C31H29Cl2N3O5/c1-18-19(2)41-30-22(18)6-5-7-26(30)40-17-23-24(32)13-14-25(29(23)33)36(4)28(38)16-35-27(37)15-10-20-8-11-21(12-9-20)31(39)34-3/h5-15H,16-17H2,1-4H3,(H,34,39)(H,35,37)/b15-10+
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n/an/a 23n/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
BDKRB2


(HUMAN)
BDBM50067309
PNG
(4-{(E)-2-[({[3-(2-Dimethylamino-1-methyl-1H-benzoi...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(nc34)N(C)C)c2C)cc1
Show InChI InChI=1S/C33H38N6O4/c1-21-11-17-26(22(2)25(21)20-43-28-10-8-9-27-31(28)36-33(37(4)5)39(27)7)38(6)30(41)19-35-29(40)18-14-23-12-15-24(16-13-23)32(42)34-3/h8-18H,19-20H2,1-7H3,(H,34,42)(H,35,40)/b18-14+
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n/an/a 38n/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
BDKRB2


(HUMAN)
BDBM50067306
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(1-ethyl-2-methyl-1H-b...)
Show SMILES CCn1c(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C31H31Cl2N5O4/c1-5-38-19(2)36-30-25(38)7-6-8-26(30)42-18-22-23(32)14-15-24(29(22)33)37(4)28(40)17-35-27(39)16-11-20-9-12-21(13-10-20)31(41)34-3/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
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n/an/a 48n/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
BDKRB2


(HUMAN)
BDBM50067311
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinazolin-8...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4cnc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-34-15-21-5-4-6-25(29(21)36-18)41-17-22-23(31)12-13-24(28(22)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 56n/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
BDKRB2


(HUMAN)
BDBM50067303
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(1,2-dimethyl-1H-benzo...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N5O4/c1-18-35-29-24(36(18)3)6-5-7-25(29)41-17-21-22(31)13-14-23(28(21)32)37(4)27(39)16-34-26(38)15-10-19-8-11-20(12-9-19)30(40)33-2/h5-15H,16-17H2,1-4H3,(H,33,40)(H,34,38)/b15-10+
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n/an/a 67n/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
BDKRB2


(HUMAN)
BDBM50067321
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylsulf...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(SC)nc34)c2C)cc1
Show InChI InChI=1S/C32H35N5O4S/c1-20-10-16-25(21(2)24(20)19-41-27-9-7-8-26-30(27)35-32(42-6)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 79n/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
BDKRB2


(HUMAN)
BDBM50067292
PNG
(4-{(E)-2-[({[3-(2-Ethoxy-1-methyl-1H-benzoimidazol...)
Show SMILES CCOc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
Show InChI InChI=1S/C33H37N5O5/c1-7-42-33-36-31-27(38(33)6)9-8-10-28(31)43-20-25-21(2)11-17-26(22(25)3)37(5)30(40)19-35-29(39)18-14-23-12-15-24(16-13-23)32(41)34-4/h8-18H,7,19-20H2,1-6H3,(H,34,41)(H,35,39)/b18-14+
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n/an/a 90n/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
BDKRB2


(HUMAN)
BDBM50067313
PNG
(4-{(E)-2-[({[3-(2-Acetyl-1-methyl-1H-benzoimidazol...)
Show SMILES CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(nc34)C(C)=O)c2C)cc1
Show InChI InChI=1S/C33H35N5O5/c1-20-10-16-26(21(2)25(20)19-43-28-9-7-8-27-31(28)36-32(22(3)39)38(27)6)37(5)30(41)18-35-29(40)17-13-23-11-14-24(15-12-23)33(42)34-4/h7-17H,18-19H2,1-6H3,(H,34,42)(H,35,40)
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n/an/a 94n/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
BDKRB2


(HUMAN)
BDBM50067319
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylamin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(NC)nc34)c2C)cc1
Show InChI InChI=1S/C32H36N6O4/c1-20-10-16-25(21(2)24(20)19-42-27-9-7-8-26-30(27)36-32(34-4)38(26)6)37(5)29(40)18-35-28(39)17-13-22-11-14-23(15-12-22)31(41)33-3/h7-17H,18-19H2,1-6H3,(H,33,41)(H,34,36)(H,35,39)/b17-13+
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n/an/a 94n/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
BDKRB2


(HUMAN)
BDBM50067311
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinazolin-8...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4cnc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-34-15-21-5-4-6-25(29(21)36-18)41-17-22-23(31)12-13-24(28(22)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 110n/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
BDKRB2


(HUMAN)
BDBM50067309
PNG
(4-{(E)-2-[({[3-(2-Dimethylamino-1-methyl-1H-benzoi...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(nc34)N(C)C)c2C)cc1
Show InChI InChI=1S/C33H38N6O4/c1-21-11-17-26(22(2)25(21)20-43-28-10-8-9-27-31(28)36-33(37(4)5)39(27)7)38(6)30(41)19-35-29(40)18-14-23-12-15-24(16-13-23)32(42)34-3/h8-18H,19-20H2,1-7H3,(H,34,42)(H,35,40)/b18-14+
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n/an/a 160n/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
BDKRB2


(HUMAN)
BDBM50067271
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4nc(C)cnc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-35-29-23(36-18)5-4-6-25(29)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-34-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,34,38)/b14-9+
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n/an/a 170n/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
BDKRB2


(HUMAN)
BDBM50067313
PNG
(4-{(E)-2-[({[3-(2-Acetyl-1-methyl-1H-benzoimidazol...)
Show SMILES CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(nc34)C(C)=O)c2C)cc1
Show InChI InChI=1S/C33H35N5O5/c1-20-10-16-26(21(2)25(20)19-43-28-9-7-8-27-31(28)36-32(22(3)39)38(27)6)37(5)30(41)18-35-29(40)17-13-23-11-14-24(15-12-23)33(42)34-4/h7-17H,18-19H2,1-6H3,(H,34,42)(H,35,40)
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n/an/a 200n/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
BDKRB2


(HUMAN)
BDBM50067285
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2,3-dimethyl-benzofur...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(C)c(C)oc34)c2Cl)cc1
Show InChI InChI=1S/C31H29Cl2N3O5/c1-18-19(2)41-30-22(18)6-5-7-26(30)40-17-23-24(32)13-14-25(29(23)33)36(4)28(38)16-35-27(37)15-10-20-8-11-21(12-9-20)31(39)34-3/h5-15H,16-17H2,1-4H3,(H,34,39)(H,35,37)/b15-10+
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n/an/a 270n/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
BDKRB2


(HUMAN)
BDBM50067288
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-benzooxazol-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4oc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C29H26Cl2N4O5/c1-17-34-28-23(5-4-6-24(28)40-17)39-16-20-21(30)12-13-22(27(20)31)35(3)26(37)15-33-25(36)14-9-18-7-10-19(11-8-18)29(38)32-2/h4-14H,15-16H2,1-3H3,(H,32,38)(H,33,36)/b14-9+
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n/an/a 380n/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
BDKRB2


(HUMAN)
BDBM50067319
PNG
(4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylamin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(NC)nc34)c2C)cc1
Show InChI InChI=1S/C32H36N6O4/c1-20-10-16-25(21(2)24(20)19-42-27-9-7-8-26-30(27)36-32(34-4)38(26)6)37(5)29(40)18-35-28(39)17-13-22-11-14-23(15-12-22)31(41)33-3/h7-17H,18-19H2,1-6H3,(H,33,41)(H,34,36)(H,35,39)/b17-13+
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n/an/a 670n/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
BDKRB2


(HUMAN)
BDBM50067292
PNG
(4-{(E)-2-[({[3-(2-Ethoxy-1-methyl-1H-benzoimidazol...)
Show SMILES CCOc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
Show InChI InChI=1S/C33H37N5O5/c1-7-42-33-36-31-27(38(33)6)9-8-10-28(31)43-20-25-21(2)11-17-26(22(25)3)37(5)30(40)19-35-29(39)18-14-23-12-15-24(16-13-23)32(41)34-4/h8-18H,7,19-20H2,1-6H3,(H,34,41)(H,35,39)/b18-14+
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n/an/a 730n/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
BDKRB2


(HUMAN)
BDBM50067268
PNG
(4-{(E)-2-[({[3-(2-Methoxymethyl-1-methyl-1H-benzoi...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(COC)nc34)c2C)cc1
Show InChI InChI=1S/C33H37N5O5/c1-21-10-16-26(22(2)25(21)19-43-28-9-7-8-27-32(28)36-29(20-42-6)37(27)4)38(5)31(40)18-35-30(39)17-13-23-11-14-24(15-12-23)33(41)34-3/h7-17H,18-20H2,1-6H3,(H,34,41)(H,35,39)/b17-13+
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n/an/a 1.00E+3n/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
BDKRB2


(HUMAN)
BDBM50067288
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-benzooxazol-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4oc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C29H26Cl2N4O5/c1-17-34-28-23(5-4-6-24(28)40-17)39-16-20-21(30)12-13-22(27(20)31)35(3)26(37)15-33-25(36)14-9-18-7-10-19(11-8-18)29(38)32-2/h4-14H,15-16H2,1-3H3,(H,32,38)(H,33,36)/b14-9+
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n/an/a 1.10E+3n/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
BDKRB2


(HUMAN)
BDBM50067278
PNG
(CHEMBL21311 | {4-[2,6-Dimethyl-3-(methyl-{2-[(E)-3...)
Show SMILES CCOC(=O)Cc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
Show InChI InChI=1S/C35H39N5O6/c1-7-45-33(43)19-30-38-34-28(39(30)5)9-8-10-29(34)46-21-26-22(2)11-17-27(23(26)3)40(6)32(42)20-37-31(41)18-14-24-12-15-25(16-13-24)35(44)36-4/h8-18H,7,19-21H2,1-6H3,(H,36,44)(H,37,41)/b18-14+
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n/an/a 1.10E+3n/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
BDKRB2


(HUMAN)
BDBM50067271
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4nc(C)cnc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-35-29-23(36-18)5-4-6-25(29)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-34-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,34,38)/b14-9+
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n/an/a 2.90E+3n/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
BDKRB2


(HUMAN)
BDBM50067278
PNG
(CHEMBL21311 | {4-[2,6-Dimethyl-3-(methyl-{2-[(E)-3...)
Show SMILES CCOC(=O)Cc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
Show InChI InChI=1S/C35H39N5O6/c1-7-45-33(43)19-30-38-34-28(39(30)5)9-8-10-29(34)46-21-26-22(2)11-17-27(23(26)3)40(6)32(42)20-37-31(41)18-14-24-12-15-25(16-13-24)35(44)36-4/h8-18H,7,19-21H2,1-6H3,(H,36,44)(H,37,41)/b18-14+
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n/an/a 8.40E+3n/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
BDKRB2


(HUMAN)
BDBM50067268
PNG
(4-{(E)-2-[({[3-(2-Methoxymethyl-1-methyl-1H-benzoi...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(COC)nc34)c2C)cc1
Show InChI InChI=1S/C33H37N5O5/c1-21-10-16-26(22(2)25(21)19-43-28-9-7-8-27-32(28)36-29(20-42-6)37(27)4)38(5)31(40)18-35-30(39)17-13-23-11-14-24(15-12-23)33(41)34-3/h7-17H,18-20H2,1-6H3,(H,34,41)(H,35,39)/b17-13+
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n/an/a 9.10E+3n/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
* indicates data uncertainty>20%