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PubMed code 15115408

Compile data set for download or QSAR
Found 64 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)
BDBM50146108
PNG
(Arg-Arg-Pro-Hyp-Gly-Thi-Cys-Tic-Oic-Arg | CHEMBL27...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37-,38-,39-,40-,41-,43-,44-,45+,46+/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


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

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146108
PNG
(Arg-Arg-Pro-Hyp-Gly-Thi-Cys-Tic-Oic-Arg | CHEMBL27...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37-,38-,39-,40-,41-,43-,44-,45+,46+/m0/s1
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


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

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146102
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C39H36Cl2N6O5/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-27(10-7-26)39(50)45-28-14-16-42-17-15-28/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,42,45,50)/b13-8+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146101
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)Nc4ccncc4)c3Cl)cccc12
Show InChI InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-25(12-9-24)37(48)43-26-16-18-40-19-17-26/h5-20H,21-22H2,1-4H3,(H,41,46)(H,40,43,48)/b15-10+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146109
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCC3)c2Cl)cc1
Show InChI InChI=1S/C37H39Cl2N5O4/c1-24-21-31(44-19-6-5-7-20-44)27-9-8-10-32(36(27)41-24)48-23-28-29(38)16-17-30(35(28)39)43(4)34(46)22-40-33(45)18-13-25-11-14-26(15-12-25)37(47)42(2)3/h8-18,21H,5-7,19-20,22-23H2,1-4H3,(H,40,45)/b18-13+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146119
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cc1
Show InChI InChI=1S/C36H37Cl2N5O5/c1-23-20-30(43-16-18-47-19-17-43)26-6-5-7-31(35(26)40-23)48-22-27-28(37)13-14-29(34(27)38)42(4)33(45)21-39-32(44)15-10-24-8-11-25(12-9-24)36(46)41(2)3/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,44)/b15-10+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146104
PNG
(CHEMBL545021 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)c2ccncc2)cc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C39H36Cl2N6O5/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-28(10-7-26)45-39(50)27-14-16-42-17-15-27/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,45,50)/b13-8+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146097
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCC3)c2Cl)cc1
Show InChI InChI=1S/C36H37Cl2N5O4/c1-23-20-30(43-18-5-4-6-19-43)26-8-7-9-31(35(26)41-23)47-22-27-28(37)15-16-29(34(27)38)42(3)33(45)21-40-32(44)17-12-24-10-13-25(14-11-24)36(46)39-2/h7-17,20H,4-6,18-19,21-22H2,1-3H3,(H,39,46)(H,40,44)/b17-12+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146115
PNG
(5-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cn1
Show InChI InChI=1S/C34H34Cl2N6O5/c1-21-17-28(42-13-15-46-16-14-42)23-5-4-6-29(33(23)40-21)47-20-24-25(35)9-11-27(32(24)36)41(3)31(44)19-39-30(43)12-8-22-7-10-26(38-18-22)34(45)37-2/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,37,45)(H,39,43)/b12-8+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146121
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C38H39Cl2N5O4/c1-25-22-32(44-19-4-3-5-20-44)28-8-6-9-33(38(28)42-25)49-24-29-30(39)16-17-31(37(29)40)43(2)36(48)23-41-34(46)18-13-26-11-14-27(15-12-26)45-21-7-10-35(45)47/h6,8-9,11-18,22H,3-5,7,10,19-21,23-24H2,1-2H3,(H,41,46)/b18-13+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146106
PNG
(5-{(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)cn1
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)21-7-6-8-27(31(21)38-19)44-18-22-23(33)11-13-25(30(22)34)40(5)29(42)17-37-28(41)14-10-20-9-12-24(36-16-20)32(43)35-2/h6-16H,17-18H2,1-5H3,(H,35,43)(H,37,41)/b14-10+
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Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146106
PNG
(5-{(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)cn1
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)21-7-6-8-27(31(21)38-19)44-18-22-23(33)11-13-25(30(22)34)40(5)29(42)17-37-28(41)14-10-20-9-12-24(36-16-20)32(43)35-2/h6-16H,17-18H2,1-5H3,(H,35,43)(H,37,41)/b14-10+
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n/an/a 1.60n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146114
PNG
(CHEMBL539792 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)c2ccncc2)cc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C40H38Cl2N6O4/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-29(13-10-27)46-40(51)28-17-19-43-20-18-28/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,46,51)/b16-11+
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n/an/a 1.60n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146098
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-4-morpholin-4-yl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C37H37Cl2N5O5/c1-24-21-31(43-17-19-48-20-18-43)27-5-3-6-32(37(27)41-24)49-23-28-29(38)13-14-30(36(28)39)42(2)35(47)22-40-33(45)15-10-25-8-11-26(12-9-25)44-16-4-7-34(44)46/h3,5-6,8-15,21H,4,7,16-20,22-23H2,1-2H3,(H,40,45)/b15-10+
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n/an/a 1.80n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146110
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(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C34H34Cl2N6O5/c1-21-17-28(42-13-15-46-16-14-42)24-5-4-6-29(34(24)39-21)47-20-25-26(35)9-10-27(33(25)36)41(3)32(45)19-38-31(44)12-8-23-7-11-30(37-18-23)40-22(2)43/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,38,44)(H,37,40,43)/b12-8+
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n/an/a 1.80n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146124
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)cc1OC
Show InChI InChI=1S/C34H35Cl2N5O5/c1-20-16-27(40(3)4)22-8-7-9-28(33(22)39-20)46-19-24-25(35)13-14-26(32(24)36)41(5)31(43)18-38-30(42)15-11-21-10-12-23(34(44)37-2)29(17-21)45-6/h7-17H,18-19H2,1-6H3,(H,37,44)(H,38,42)/b15-11+
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n/an/a 2n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146113
PNG
(3-[3-({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-q...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(c4)C(=O)Nc4ccncc4)c3Cl)cccc12
Show InChI InChI=1S/C35H33Cl2N7O4/c1-21-17-29(43(2)3)25-9-6-10-30(33(25)40-21)48-20-26-27(36)11-12-28(32(26)37)44(4)31(45)19-39-35(47)42-24-8-5-7-22(18-24)34(46)41-23-13-15-38-16-14-23/h5-18H,19-20H2,1-4H3,(H,38,41,46)(H2,39,42,47)
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n/an/a 2.20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146117
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccn1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C41H40Cl2N6O4/c1-27-23-35(49-21-6-3-7-22-49)31-10-8-11-36(40(31)47-27)53-26-32-33(42)17-18-34(39(32)43)48(2)38(51)25-45-37(50)19-14-28-12-15-29(16-13-28)41(52)46-24-30-9-4-5-20-44-30/h4-5,8-20,23H,3,6-7,21-22,24-26H2,1-2H3,(H,45,50)(H,46,52)/b19-14+
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n/an/a 2.5n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146122
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cc1
Show InChI InChI=1S/C35H35Cl2N5O5/c1-22-19-29(42-15-17-46-18-16-42)25-5-4-6-30(34(25)40-22)47-21-26-27(36)12-13-28(33(26)37)41(3)32(44)20-39-31(43)14-9-23-7-10-24(11-8-23)35(45)38-2/h4-14,19H,15-18,20-21H2,1-3H3,(H,38,45)(H,39,43)/b14-9+
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n/an/a 2.70n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
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
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146112
PNG
(5-{(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)cn1
Show InChI InChI=1S/C33H34Cl2N6O4/c1-20-16-27(39(2)3)22-8-7-9-28(32(22)38-20)45-19-23-24(34)12-14-26(31(23)35)41(6)30(43)18-37-29(42)15-11-21-10-13-25(36-17-21)33(44)40(4)5/h7-17H,18-19H2,1-6H3,(H,37,42)/b15-11+
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n/an/a 4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146116
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)22-7-6-8-27(32(22)37-19)44-18-23-24(33)11-12-25(31(23)34)40(5)30(43)17-36-29(42)14-10-21-9-13-28(35-16-21)38-20(2)41/h6-16H,17-18H2,1-5H3,(H,36,42)(H,35,38,41)/b14-10+
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n/an/a 4.20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146099
PNG
((E)-3-(4-Acetylamino-3-methyl-phenyl)-N-({[2,4-dic...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)c(C)c4)c3Cl)cccc12
Show InChI InChI=1S/C34H35Cl2N5O4/c1-20-16-23(10-13-27(20)39-22(3)42)11-15-31(43)37-18-32(44)41(6)28-14-12-26(35)25(33(28)36)19-45-30-9-7-8-24-29(40(4)5)17-21(2)38-34(24)30/h7-17H,18-19H2,1-6H3,(H,37,43)(H,39,42)/b15-11+
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n/an/a 4.80n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146101
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)Nc4ccncc4)c3Cl)cccc12
Show InChI InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-25(12-9-24)37(48)43-26-16-18-40-19-17-26/h5-20H,21-22H2,1-4H3,(H,41,46)(H,40,43,48)/b15-10+
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n/an/a 5.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146124
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)cc1OC
Show InChI InChI=1S/C34H35Cl2N5O5/c1-20-16-27(40(3)4)22-8-7-9-28(33(22)39-20)46-19-24-25(35)13-14-26(32(24)36)41(5)31(43)18-38-30(42)15-11-21-10-12-23(34(44)37-2)29(17-21)45-6/h7-17H,18-19H2,1-6H3,(H,37,44)(H,38,42)/b15-11+
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n/an/a 5.60n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146100
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NCc4ccccn4)c3Cl)cccc12
Show InChI InChI=1S/C38H36Cl2N6O4/c1-24-20-32(45(2)3)28-9-7-10-33(37(28)44-24)50-23-29-30(39)16-17-31(36(29)40)46(4)35(48)22-42-34(47)18-13-25-11-14-26(15-12-25)38(49)43-21-27-8-5-6-19-41-27/h5-20H,21-23H2,1-4H3,(H,42,47)(H,43,49)/b18-13+
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n/an/a 5.90n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146116
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)22-7-6-8-27(32(22)37-19)44-18-23-24(33)11-12-25(31(23)34)40(5)30(43)17-36-29(42)14-10-21-9-13-28(35-16-21)38-20(2)41/h6-16H,17-18H2,1-5H3,(H,36,42)(H,35,38,41)/b14-10+
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n/an/a 6.30n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146111
PNG
(CHEMBL542173 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(4-d...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)cccc12
Show InChI InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-26(12-9-24)43-37(48)25-16-18-40-19-17-25/h5-20H,21-22H2,1-4H3,(H,41,46)(H,43,48)/b15-10+
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n/an/a 6.90n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146112
PNG
(5-{(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)cn1
Show InChI InChI=1S/C33H34Cl2N6O4/c1-20-16-27(39(2)3)22-8-7-9-28(32(22)38-20)45-19-23-24(34)12-14-26(31(23)35)41(6)30(43)18-37-29(42)15-11-21-10-13-25(36-17-21)33(44)40(4)5/h7-17H,18-19H2,1-6H3,(H,37,42)/b15-11+
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n/an/a 8.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146113
PNG
(3-[3-({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-q...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(c4)C(=O)Nc4ccncc4)c3Cl)cccc12
Show InChI InChI=1S/C35H33Cl2N7O4/c1-21-17-29(43(2)3)25-9-6-10-30(33(25)40-21)48-20-26-27(36)11-12-28(32(26)37)44(4)31(45)19-39-35(47)42-24-8-5-7-22(18-24)34(46)41-23-13-15-38-16-14-23/h5-18H,19-20H2,1-4H3,(H,38,41,46)(H2,39,42,47)
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n/an/a 12n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146122
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cc1
Show InChI InChI=1S/C35H35Cl2N5O5/c1-22-19-29(42-15-17-46-18-16-42)25-5-4-6-30(34(25)40-22)47-21-26-27(36)12-13-28(33(26)37)41(3)32(44)20-39-31(43)14-9-23-7-10-24(11-8-23)35(45)38-2/h4-14,19H,15-18,20-21H2,1-3H3,(H,38,45)(H,39,43)/b14-9+
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n/an/a 12n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146098
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-4-morpholin-4-yl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C37H37Cl2N5O5/c1-24-21-31(43-17-19-48-20-18-43)27-5-3-6-32(37(27)41-24)49-23-28-29(38)13-14-30(36(28)39)42(2)35(47)22-40-33(45)15-10-25-8-11-26(12-9-25)44-16-4-7-34(44)46/h3,5-6,8-15,21H,4,7,16-20,22-23H2,1-2H3,(H,40,45)/b15-10+
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n/an/a 13n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146123
PNG
(4-[(E)-2-({[(3-{4-[Bis-(2-methoxy-ethyl)-amino]-2-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(CCOC)CCOC)c2Cl)cc1
Show InChI InChI=1S/C37H41Cl2N5O6/c1-24-21-31(44(17-19-48-4)18-20-49-5)27-7-6-8-32(36(27)42-24)50-23-28-29(38)14-15-30(35(28)39)43(3)34(46)22-41-33(45)16-11-25-9-12-26(13-10-25)37(47)40-2/h6-16,21H,17-20,22-23H2,1-5H3,(H,40,47)(H,41,45)/b16-11+
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n/an/a 19n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146099
PNG
((E)-3-(4-Acetylamino-3-methyl-phenyl)-N-({[2,4-dic...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)c(C)c4)c3Cl)cccc12
Show InChI InChI=1S/C34H35Cl2N5O4/c1-20-16-23(10-13-27(20)39-22(3)42)11-15-31(43)37-18-32(44)41(6)28-14-12-26(35)25(33(28)36)19-45-30-9-7-8-24-29(40(4)5)17-21(2)38-34(24)30/h7-17H,18-19H2,1-6H3,(H,37,43)(H,39,42)/b15-11+
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n/an/a 21n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146100
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-met...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NCc4ccccn4)c3Cl)cccc12
Show InChI InChI=1S/C38H36Cl2N6O4/c1-24-20-32(45(2)3)28-9-7-10-33(37(28)44-24)50-23-29-30(39)16-17-31(36(29)40)46(4)35(48)22-42-34(47)18-13-25-11-14-26(15-12-25)38(49)43-21-27-8-5-6-19-41-27/h5-20H,21-23H2,1-4H3,(H,42,47)(H,43,49)/b18-13+
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n/an/a 28n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146121
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-4-piperidin-1-yl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C38H39Cl2N5O4/c1-25-22-32(44-19-4-3-5-20-44)28-8-6-9-33(38(28)42-25)49-24-29-30(39)16-17-31(37(29)40)43(2)36(48)23-41-34(46)18-13-26-11-14-27(15-12-26)45-21-7-10-35(45)47/h6,8-9,11-18,22H,3-5,7,10,19-21,23-24H2,1-2H3,(H,41,46)/b18-13+
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n/an/a 28n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146104
PNG
(CHEMBL545021 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)c2ccncc2)cc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C39H36Cl2N6O5/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-28(10-7-26)45-39(50)27-14-16-42-17-15-27/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,45,50)/b13-8+
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n/an/a 29n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146109
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCC3)c2Cl)cc1
Show InChI InChI=1S/C37H39Cl2N5O4/c1-24-21-31(44-19-6-5-7-20-44)27-9-8-10-32(36(27)41-24)48-23-28-29(38)16-17-30(35(28)39)43(4)34(46)22-40-33(45)18-13-25-11-14-26(15-12-25)37(47)42(2)3/h8-18,21H,5-7,19-20,22-23H2,1-4H3,(H,40,45)/b18-13+
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n/an/a 30n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146102
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C39H36Cl2N6O5/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-27(10-7-26)39(50)45-28-14-16-42-17-15-28/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,42,45,50)/b13-8+
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n/an/a 37n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146096
PNG
(4-{(E)-2-[({[3-(4-Azepan-1-yl-2-methyl-quinolin-8-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCCC3)c2Cl)cc1
Show InChI InChI=1S/C37H39Cl2N5O4/c1-24-21-31(44-19-6-4-5-7-20-44)27-9-8-10-32(36(27)42-24)48-23-28-29(38)16-17-30(35(28)39)43(3)34(46)22-41-33(45)18-13-25-11-14-26(15-12-25)37(47)40-2/h8-18,21H,4-7,19-20,22-23H2,1-3H3,(H,40,47)(H,41,45)/b18-13+
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n/an/a 37n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146117
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)NCc1ccccn1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C41H40Cl2N6O4/c1-27-23-35(49-21-6-3-7-22-49)31-10-8-11-36(40(31)47-27)53-26-32-33(42)17-18-34(39(32)43)48(2)38(51)25-45-37(50)19-14-28-12-15-29(16-13-28)41(52)46-24-30-9-4-5-20-44-30/h4-5,8-20,23H,3,6-7,21-22,24-26H2,1-2H3,(H,45,50)(H,46,52)/b19-14+
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n/an/a 40n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146105
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[4-(2-methoxy-ethylami...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCOC)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C34H35Cl2N5O5/c1-21-18-27(38-16-17-45-4)24-6-5-7-29(33(24)40-21)46-20-25-26(35)13-14-28(32(25)36)41(3)31(43)19-39-30(42)15-10-22-8-11-23(12-9-22)34(44)37-2/h5-15,18H,16-17,19-20H2,1-4H3,(H,37,44)(H,38,40)(H,39,42)/b15-10+
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n/an/a 41n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146119
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cc1
Show InChI InChI=1S/C36H37Cl2N5O5/c1-23-20-30(43-16-18-47-19-17-43)26-6-5-7-31(35(26)40-23)48-22-27-28(37)13-14-29(34(27)38)42(4)33(45)21-39-32(44)15-10-24-8-11-25(12-9-24)36(46)41(2)3/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,44)/b15-10+
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n/an/a 43n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146105
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[4-(2-methoxy-ethylami...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCOC)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C34H35Cl2N5O5/c1-21-18-27(38-16-17-45-4)24-6-5-7-29(33(24)40-21)46-20-25-26(35)13-14-28(32(25)36)41(3)31(43)19-39-30(42)15-10-22-8-11-23(12-9-22)34(44)37-2/h5-15,18H,16-17,19-20H2,1-4H3,(H,37,44)(H,38,40)(H,39,42)/b15-10+
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n/an/a 49n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146110
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(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show InChI InChI=1S/C34H34Cl2N6O5/c1-21-17-28(42-13-15-46-16-14-42)24-5-4-6-29(34(24)39-21)47-20-25-26(35)9-10-27(33(25)36)41(3)32(45)19-38-31(44)12-8-23-7-11-30(37-18-23)40-22(2)43/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,38,44)(H,37,40,43)/b12-8+
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n/an/a 65n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146097
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCC3)c2Cl)cc1
Show InChI InChI=1S/C36H37Cl2N5O4/c1-23-20-30(43-18-5-4-6-19-43)26-8-7-9-31(35(26)41-23)47-22-27-28(37)15-16-29(34(27)38)42(3)33(45)21-40-32(44)17-12-24-10-13-25(14-11-24)36(46)39-2/h7-17,20H,4-6,18-19,21-22H2,1-3H3,(H,39,46)(H,40,44)/b17-12+
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n/an/a 68n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146114
PNG
(CHEMBL539792 | N-(4-{(E)-2-[({[2,4-Dichloro-3-(2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)c2ccncc2)cc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C40H38Cl2N6O4/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-29(13-10-27)46-40(51)28-17-19-43-20-18-28/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,46,51)/b16-11+
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n/an/a 75n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146115
PNG
(5-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCOCC3)c2Cl)cn1
Show InChI InChI=1S/C34H34Cl2N6O5/c1-21-17-28(42-13-15-46-16-14-42)23-5-4-6-29(33(23)40-21)47-20-24-25(35)9-11-27(32(24)36)41(3)31(44)19-39-30(43)12-8-22-7-10-26(38-18-22)34(45)37-2/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,37,45)(H,39,43)/b12-8+
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n/an/a 85n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146103
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-pyrrolidin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCC3)c2Cl)cc1
Show InChI InChI=1S/C35H35Cl2N5O4/c1-22-19-29(42-17-4-5-18-42)25-7-6-8-30(34(25)40-22)46-21-26-27(36)14-15-28(33(26)37)41(3)32(44)20-39-31(43)16-11-23-9-12-24(13-10-23)35(45)38-2/h6-16,19H,4-5,17-18,20-21H2,1-3H3,(H,38,45)(H,39,43)/b16-11+
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n/an/a 87n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146107
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(4-methyl-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCN(C)CC3)c2Cl)cc1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-23-20-30(44-18-16-42(3)17-19-44)26-6-5-7-31(35(26)41-23)48-22-27-28(37)13-14-29(34(27)38)43(4)33(46)21-40-32(45)15-10-24-8-11-25(12-9-24)36(47)39-2/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,47)(H,40,45)/b15-10+
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n/an/a 98n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146120
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-piperidin-...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccncc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCCCC2)c1Cl
Show InChI InChI=1S/C40H38Cl2N6O4/c1-26-23-34(48-21-4-3-5-22-48)30-7-6-8-35(39(30)45-26)52-25-31-32(41)14-15-33(38(31)42)47(2)37(50)24-44-36(49)16-11-27-9-12-28(13-10-27)40(51)46-29-17-19-43-20-18-29/h6-20,23H,3-5,21-22,24-25H2,1-2H3,(H,44,49)(H,43,46,51)/b16-11+
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n/an/a 240n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146123
PNG
(4-[(E)-2-({[(3-{4-[Bis-(2-methoxy-ethyl)-amino]-2-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N(CCOC)CCOC)c2Cl)cc1
Show InChI InChI=1S/C37H41Cl2N5O6/c1-24-21-31(44(17-19-48-4)18-20-49-5)27-7-6-8-32(36(27)42-24)50-23-28-29(38)14-15-30(35(28)39)43(3)34(46)22-41-33(45)16-11-25-9-12-26(13-10-25)37(47)40-2/h6-16,21H,17-20,22-23H2,1-5H3,(H,40,47)(H,41,45)/b16-11+
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n/an/a 560n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146096
PNG
(4-{(E)-2-[({[3-(4-Azepan-1-yl-2-methyl-quinolin-8-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCCCC3)c2Cl)cc1
Show InChI InChI=1S/C37H39Cl2N5O4/c1-24-21-31(44-19-6-4-5-7-20-44)27-9-8-10-32(36(27)42-24)48-23-28-29(38)16-17-30(35(28)39)43(3)34(46)22-41-33(45)18-13-25-11-14-26(15-12-25)37(47)40-2/h8-18,21H,4-7,19-20,22-23H2,1-3H3,(H,40,47)(H,41,45)/b18-13+
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n/an/a 840n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146107
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(4-methyl-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCN(C)CC3)c2Cl)cc1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-23-20-30(44-18-16-42(3)17-19-44)26-6-5-7-31(35(26)41-23)48-22-27-28(37)13-14-29(34(27)38)43(4)33(46)21-40-32(45)15-10-24-8-11-25(12-9-24)36(47)39-2/h5-15,20H,16-19,21-22H2,1-4H3,(H,39,47)(H,40,45)/b15-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146103
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-pyrrolidin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)N3CCCC3)c2Cl)cc1
Show InChI InChI=1S/C35H35Cl2N5O4/c1-22-19-29(42-17-4-5-18-42)25-7-6-8-30(34(25)40-22)46-21-26-27(36)14-15-28(33(26)37)41(3)32(44)20-39-31(43)16-11-23-9-12-24(13-10-23)35(45)38-2/h6-16,19H,4-5,17-18,20-21H2,1-3H3,(H,38,45)(H,39,43)/b16-11+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146118
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[4-(2-dimethylamino-et...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCN(C)C)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C35H38Cl2N6O4/c1-22-19-28(39-17-18-42(3)4)25-7-6-8-30(34(25)41-22)47-21-26-27(36)14-15-29(33(26)37)43(5)32(45)20-40-31(44)16-11-23-9-12-24(13-10-23)35(46)38-2/h6-16,19H,17-18,20-21H2,1-5H3,(H,38,46)(H,39,41)(H,40,44)/b16-11+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(HUMAN)
BDBM50146118
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[4-(2-dimethylamino-et...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCN(C)C)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C35H38Cl2N6O4/c1-22-19-28(39-17-18-42(3)4)25-7-6-8-30(34(25)41-22)47-21-26-27(36)14-15-29(33(26)37)43(5)32(45)20-40-31(44)16-11-23-9-12-24(13-10-23)35(46)38-2/h6-16,19H,17-18,20-21H2,1-5H3,(H,38,46)(H,39,41)(H,40,44)/b16-11+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


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


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%