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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'faussner' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50293905
PNG
((S)-4-amino-5-(4-(4-(2,4-dichloro-3-((2,4-dimethyl...)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 |r|
Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Cavia porcellus)
BDBM50074986
PNG
((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N
Show InChI InChI=1S/C31H24ClF3N4O3/c1-19-6-10-21-4-3-5-27(30(21)38-19)42-18-24-23(16-36)26(14-13-25(24)32)39(2)29(41)17-37-28(40)15-9-20-7-11-22(12-8-20)31(33,34)35/h3-15H,17-18H2,1-2H3,(H,37,40)/b15-9+
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n/an/a 0.300n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


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



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293906
PNG
((S)-4-carbamimidoyl-N-(4-(1-(2,4-dichloro-3-((2,4-...)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)CCCNC(=O)c3ccc(cc3)C(N)=N)c2n1 |r|
Show InChI InChI=1S/C34H35Cl2N5O5S/c1-20-18-21(2)40-32-24(20)6-3-9-29(32)46-19-25-26(35)14-15-30(31(25)36)47(44,45)41-17-5-7-27(41)28(42)8-4-16-39-34(43)23-12-10-22(11-13-23)33(37)38/h3,6,9-15,18,27H,4-5,7-8,16-17,19H2,1-2H3,(H3,37,38)(H,39,43)/t27-/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293904
PNG
(1-((4-methyl-3-((2-methyl-4-(4-methyl-1H-pyrazol-5...)
Show SMILES Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)cccc12
Show InChI InChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)
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Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293903
PNG
(1-((3-((4-(5-chlorothiazol-4-yl)-2-methylquinolin-...)
Show SMILES Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H20ClF3N4O2S/c1-15-8-9-32-21(12-35-10-4-6-20(26(35)36)27(29,30)31)19(15)13-37-22-7-3-5-17-18(11-16(2)34-23(17)22)24-25(28)38-14-33-24/h3-11,14H,12-13H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293899
PNG
(1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H21ClF3N5O2/c1-16-11-19(23-8-9-33-35(23)2)18-5-3-7-24(25(18)34-16)38-15-20-17(12-32-13-22(20)28)14-36-10-4-6-21(26(36)37)27(29,30)31/h3-13H,14-15H2,1-2H3
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Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


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

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293901
PNG
(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)
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n/an/a 1.80n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293890
PNG
(CHEMBL550827 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES CC(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C25H26ClN5O2/c1-15(2)25(32)28-12-17-11-27-13-21(26)20(17)14-33-23-7-5-6-18-19(10-16(3)30-24(18)23)22-8-9-29-31(22)4/h5-11,13,15H,12,14H2,1-4H3,(H,28,32)
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n/an/a 2.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293891
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H25ClN6O2/c1-15-10-18(21-8-9-28-31(21)4)17-6-5-7-22(23(17)29-15)33-14-19-16(11-26-13-20(19)25)12-27-24(32)30(2)3/h5-11,13H,12,14H2,1-4H3,(H,27,32)
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n/an/a 2.80n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293897
PNG
(1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1
Show InChI InChI=1S/C26H22ClN5O2/c1-17-12-20(23-9-10-29-31(23)2)19-6-5-7-24(26(19)30-17)34-16-21-18(13-28-14-22(21)27)15-32-11-4-3-8-25(32)33/h3-14H,15-16H2,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293900
PNG
(CHEMBL559506 | N-{4-methyl-3-[2-methyl-4-(2-methyl...)
Show SMILES CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-22-21(17(3)9-11-27-22)15-33-24-8-6-7-19-20(13-18(4)30-25(19)24)23-10-12-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)
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Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293899
PNG
(1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H21ClF3N5O2/c1-16-11-19(23-8-9-33-35(23)2)18-5-3-7-24(25(18)34-16)38-15-20-17(12-32-13-22(20)28)14-36-10-4-6-21(26(36)37)27(29,30)31/h3-13H,14-15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293897
PNG
(1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1
Show InChI InChI=1S/C26H22ClN5O2/c1-17-12-20(23-9-10-29-31(23)2)19-6-5-7-24(26(19)30-17)34-16-21-18(13-28-14-22(21)27)15-32-11-4-3-8-25(32)33/h3-14H,15-16H2,1-2H3
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n/an/a 5.10n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293900
PNG
(CHEMBL559506 | N-{4-methyl-3-[2-methyl-4-(2-methyl...)
Show SMILES CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-22-21(17(3)9-11-27-22)15-33-24-8-6-7-19-20(13-18(4)30-25(19)24)23-10-12-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)
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n/an/a 5.40n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293895
PNG
(CHEMBL562296 | acetic acid 5-chloro-4-[2-methyl-4-...)
Show SMILES CC(=O)OCc1cncc(Cl)c1C(=O)c1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C23H19ClN4O3/c1-13-9-18(20-7-8-26-28(20)3)16-5-4-6-17(22(16)27-13)23(30)21-15(12-31-14(2)29)10-25-11-19(21)24/h4-11H,12H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293888
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)COc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 6.5n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293891
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H25ClN6O2/c1-15-10-18(21-8-9-28-31(21)4)17-6-5-7-22(23(17)29-15)33-14-19-16(11-26-13-20(19)25)12-27-24(32)30(2)3/h5-11,13H,12,14H2,1-4H3,(H,27,32)
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n/an/a 6.60n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293886
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CSc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O2S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 7.5n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293890
PNG
(CHEMBL550827 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES CC(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C25H26ClN5O2/c1-15(2)25(32)28-12-17-11-27-13-21(26)20(17)14-33-23-7-5-6-18-19(10-16(3)30-24(18)23)22-8-9-29-31(22)4/h5-11,13,15H,12,14H2,1-4H3,(H,28,32)
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n/an/a 7.80n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293892
PNG
(CHEMBL552090 | dimethyl-carbamic acid 5-chloro-4-[...)
Show SMILES CN(C)C(=O)OCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3/c1-15-10-18(21-8-9-27-30(21)4)17-6-5-7-22(23(17)28-15)32-14-19-16(11-26-12-20(19)25)13-33-24(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 8.30n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293904
PNG
(1-((4-methyl-3-((2-methyl-4-(4-methyl-1H-pyrazol-5...)
Show SMILES Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)cccc12
Show InChI InChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)
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n/an/a 8.70n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293902
PNG
(1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H24F3N5O2/c1-17-9-11-32-23(15-36-13-5-7-22(27(36)37)28(29,30)31)21(17)16-38-25-8-4-6-19-20(14-18(2)34-26(19)25)24-10-12-33-35(24)3/h4-14H,15-16H2,1-3H3
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n/an/a 8.80n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293903
PNG
(1-((3-((4-(5-chlorothiazol-4-yl)-2-methylquinolin-...)
Show SMILES Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show InChI InChI=1S/C27H20ClF3N4O2S/c1-15-8-9-32-21(12-35-10-4-6-20(26(35)36)27(29,30)31)19(15)13-37-22-7-3-5-17-18(11-16(2)34-23(17)22)24-25(28)38-14-33-24/h3-11,14H,12-13H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293901
PNG
(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)
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n/an/a 10n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293892
PNG
(CHEMBL552090 | dimethyl-carbamic acid 5-chloro-4-[...)
Show SMILES CN(C)C(=O)OCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3/c1-15-10-18(21-8-9-27-30(21)4)17-6-5-7-22(23(17)28-15)32-14-19-16(11-26-12-20(19)25)13-33-24(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293894
PNG
(CHEMBL552384 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES CC(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C23H22ClN5O2/c1-14-9-18(21-7-8-27-29(21)3)17-5-4-6-22(23(17)28-14)31-13-19-16(11-26-15(2)30)10-25-12-20(19)24/h4-10,12H,11,13H2,1-3H3,(H,26,30)
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n/an/a 12n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293896
PNG
(CHEMBL552296 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNS(C)(=O)=O)c2n1
Show InChI InChI=1S/C22H22ClN5O3S/c1-14-9-17(20-7-8-25-28(20)2)16-5-4-6-21(22(16)27-14)31-13-18-15(10-24-12-19(18)23)11-26-32(3,29)30/h4-10,12,26H,11,13H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293885
PNG
(8-((3-chloro-5-(1-methyl-1H-imidazol-2-ylthio)pyri...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1
Show InChI InChI=1S/C24H21ClN6OS/c1-15-11-17(20-7-8-28-31(20)3)16-5-4-6-21(23(16)29-15)32-14-18-19(25)12-26-13-22(18)33-24-27-9-10-30(24)2/h4-13H,14H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293880
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4...)
Show SMILES Cc1csnc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
Show InChI InChI=1S/C20H15Cl2N3OS/c1-11-10-27-25-19(11)14-6-12(2)24-20-13(14)4-3-5-18(20)26-9-15-16(21)7-23-8-17(15)22/h3-8,10H,9H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293894
PNG
(CHEMBL552384 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES CC(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C23H22ClN5O2/c1-14-9-18(21-7-8-27-29(21)3)17-5-4-6-22(23(17)28-14)31-13-19-16(11-26-15(2)30)10-25-12-20(19)24/h4-10,12H,11,13H2,1-3H3,(H,26,30)
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n/an/a 24n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293886
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CSc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O2S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 24n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293884
PNG
(8-[3-chloro-5-(thiazol-2-ylsulfanyl)-pyridin-4-ylm...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccs3)c2n1
Show InChI InChI=1S/C23H18ClN5OS2/c1-14-10-16(19-6-7-27-29(19)2)15-4-3-5-20(22(15)28-14)30-13-17-18(24)11-25-12-21(17)32-23-26-8-9-31-23/h3-12H,13H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293866
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-py...)
Show SMILES Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show InChI InChI=1S/C19H14Cl2N4O/c1-12-8-17(25-7-3-6-23-25)13-4-2-5-18(19(13)24-12)26-11-14-15(20)9-22-10-16(14)21/h2-10H,11H2,1H3
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n/an/a 32n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293893
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(N)=O)c2n1
Show InChI InChI=1S/C23H22ClN5O2/c1-14-10-17(20-8-9-27-29(20)2)16-4-3-5-21(23(16)28-14)31-13-18-15(6-7-22(25)30)11-26-12-19(18)24/h3-5,8-12H,6-7,13H2,1-2H3,(H2,25,30)
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n/an/a 33n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293889
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C25H26ClN5O2/c1-16-12-19(22-10-11-28-31(22)4)18-6-5-7-23(25(18)29-16)33-15-20-17(13-27-14-21(20)26)8-9-24(32)30(2)3/h5-7,10-14H,8-9,15H2,1-4H3
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n/an/a 36n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293887
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CS(=O)c1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)33-13-18-19(25)11-26-12-22(18)34(32)14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 37n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293885
PNG
(8-((3-chloro-5-(1-methyl-1H-imidazol-2-ylthio)pyri...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1
Show InChI InChI=1S/C24H21ClN6OS/c1-15-11-17(20-7-8-28-31(20)3)16-5-4-6-21(23(16)29-15)32-14-18-19(25)12-26-13-22(18)33-24-27-9-10-30(24)2/h4-13H,14H2,1-3H3
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n/an/a 43n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293884
PNG
(8-[3-chloro-5-(thiazol-2-ylsulfanyl)-pyridin-4-ylm...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccs3)c2n1
Show InChI InChI=1S/C23H18ClN5OS2/c1-14-10-16(19-6-7-27-29(19)2)15-4-3-5-20(22(15)28-14)30-13-17-18(24)11-25-12-21(17)32-23-26-8-9-31-23/h3-12H,13H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293868
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show InChI InChI=1S/C20H16Cl2N4O/c1-12-8-14(18-6-7-24-26(18)2)13-4-3-5-19(20(13)25-12)27-11-15-16(21)9-23-10-17(15)22/h3-10H,11H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293877
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(5...)
Show SMILES Cc1scnc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
Show InChI InChI=1S/C20H15Cl2N3OS/c1-11-6-14(19-12(2)27-10-24-19)13-4-3-5-18(20(13)25-11)26-9-15-16(21)7-23-8-17(15)22/h3-8,10H,9H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293874
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4...)
Show SMILES Cc1ncsc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
Show InChI InChI=1S/C20H15Cl2N3OS/c1-11-6-14(20-12(2)24-10-27-20)13-4-3-5-18(19(13)25-11)26-9-15-16(21)7-23-8-17(15)22/h3-8,10H,9H2,1-2H3
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n/an/a 67n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293871
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2...)
Show SMILES Cc1cc(-c2ncnn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show InChI InChI=1S/C19H15Cl2N5O/c1-11-6-13(19-23-10-24-26(19)2)12-4-3-5-17(18(12)25-11)27-9-14-15(20)7-22-8-16(14)21/h3-8,10H,9H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293880
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4...)
Show SMILES Cc1csnc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
Show InChI InChI=1S/C20H15Cl2N3OS/c1-11-10-27-25-19(11)14-6-12(2)24-20-13(14)4-3-5-18(20)26-9-15-16(21)7-23-8-17(15)22/h3-8,10H,9H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293889
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C25H26ClN5O2/c1-16-12-19(22-10-11-28-31(22)4)18-6-5-7-23(25(18)29-16)33-15-20-17(13-27-14-21(20)26)8-9-24(32)30(2)3/h5-7,10-14H,8-9,15H2,1-4H3
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n/an/a 73n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293887
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)CS(=O)c1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)33-13-18-19(25)11-26-12-22(18)34(32)14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 76n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293876
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-th...)
Show SMILES Cc1cc(-c2cscn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-5-13(17-9-26-10-23-17)12-3-2-4-18(19(12)24-11)25-8-14-15(20)6-22-7-16(14)21/h2-7,9-10H,8H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293864
PNG
(8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(1...)
Show SMILES Cc1cc(-c2nccn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show InChI InChI=1S/C20H16Cl2N4O/c1-12-8-14(20-24-6-7-26(20)2)13-4-3-5-18(19(13)25-12)27-11-15-16(21)9-23-10-17(15)22/h3-10H,11H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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


(Homo sapiens (Human))
BDBM50293888
PNG
(2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES CN(C)C(=O)COc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Show InChI InChI=1S/C24H24ClN5O3/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
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n/an/a 91n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


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


J Med Chem 52: 4370-9 (2009)


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