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38 similar compounds to monomer 50209734

Compile data set for download or QSAR
Wt: 567.6
BDBM50182225
Wt: 553.6
BDBM50182240
Wt: 583.7
BDBM50203197
Wt: 583.7
BDBM50203200
Wt: 583.7
BDBM50203203
Wt: 583.7
BDBM50203204
Wt: 574.1
BDBM50209732
Wt: 529.6
BDBM50209733
Wt: 590.5
BDBM50209735
Wt: 571.7
BDBM50209736
Wt: 570.1
BDBM50209737
Wt: 610.5
BDBM50209738
Wt: 607.6
BDBM50209740
Wt: 590.5
BDBM50209741
Wt: 577.7
BDBM50209742
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50182225,50182240,50203197,50203200,50203203,50203204,50209732,50209733,50209735,50209736,50209737,50209738,50209740,50209741,50209742   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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0.770n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209736
PNG
((R)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)-...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C33H37N3O4S/c1-23(2)21-34-22-24-12-15-29-30(16-17-40-32(29)18-24)35-33(37)20-31(26-9-4-3-5-10-26)36-41(38,39)28-14-13-25-8-6-7-11-27(25)19-28/h3-15,18-19,23,30-31,34,36H,16-17,20-22H2,1-2H3,(H,35,37)/t30-,31-/m1/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209740
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((isobutylamino)me...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-19(2)17-35-18-20-6-11-25-26(12-13-41-28(25)14-20)36-29(38)16-27(21-7-9-23(31)10-8-21)37-42(39,40)24-5-3-4-22(15-24)30(32,33)34/h3-11,14-15,19,26-27,35,37H,12-13,16-18H2,1-2H3,(H,36,38)/t26-,27-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209738
PNG
((R)-3-(3,4-dichlorophenylsulfonamido)-3-(4-fluorop...)
Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30Cl2FN3O5S/c1-38-13-11-32-17-18-2-8-22-25(10-12-39-27(22)14-18)33-28(35)16-26(19-3-5-20(31)6-4-19)34-40(36,37)21-7-9-23(29)24(30)15-21/h2-9,14-15,25-26,32,34H,10-13,16-17H2,1H3,(H,33,35)/t25-,26-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209735
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-23(30)24(31)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
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17n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209742
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H43N3O4S/c1-32(2,3)25-13-15-26(16-14-25)41(38,39)36-29(24-10-8-7-9-11-24)21-31(37)35-28-18-19-40-30-20-23(12-17-27(28)30)22-34-33(4,5)6/h7-17,20,28-29,34,36H,18-19,21-22H2,1-6H3,(H,35,37)/t28-,29-/m1/s1
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24.8n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209732
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33ClFN3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-24(31)23(30)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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25.2n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209737
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
Show InChI InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
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40.6n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209741
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-24(13-14-38-26(22)15-19)33-28(35)17-25(20-7-5-4-6-8-20)34-39(36,37)27-12-10-21(30)16-23(27)31/h4-12,15-16,24-25,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t24-,25-/m1/s1
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127n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209733
PNG
((R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H31N3O4S/c1-31-20-21-11-14-26-27(15-16-37-29(26)17-21)32-30(34)19-28(23-8-3-2-4-9-23)33-38(35,36)25-13-12-22-7-5-6-10-24(22)18-25/h2-14,17-18,27-28,31,33H,15-16,19-20H2,1H3,(H,32,34)/t27-,28-/m1/s1
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138n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203203
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m1/s1
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143n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203204
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209736
PNG
((R)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)-...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C33H37N3O4S/c1-23(2)21-34-22-24-12-15-29-30(16-17-40-32(29)18-24)35-33(37)20-31(26-9-4-3-5-10-26)36-41(38,39)28-14-13-25-8-6-7-11-27(25)19-28/h3-15,18-19,23,30-31,34,36H,16-17,20-22H2,1-2H3,(H,35,37)/t30-,31-/m1/s1
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n/an/a 10.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209735
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-23(30)24(31)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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n/an/a 24.3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209732
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33ClFN3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-24(31)23(30)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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n/an/a 203n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209742
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H43N3O4S/c1-32(2,3)25-13-15-26(16-14-25)41(38,39)36-29(24-10-8-7-9-11-24)21-31(37)35-28-18-19-40-30-20-23(12-17-27(28)30)22-34-33(4,5)6/h7-17,20,28-29,34,36H,18-19,21-22H2,1-6H3,(H,35,37)/t28-,29-/m1/s1
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n/an/a 60.9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209737
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
Show InChI InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
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n/an/a 207n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209741
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-24(13-14-38-26(22)15-19)33-28(35)17-25(20-7-5-4-6-8-20)34-39(36,37)27-12-10-21(30)16-23(27)31/h4-12,15-16,24-25,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t24-,25-/m1/s1
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n/an/a 255n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209738
PNG
((R)-3-(3,4-dichlorophenylsulfonamido)-3-(4-fluorop...)
Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30Cl2FN3O5S/c1-38-13-11-32-17-18-2-8-22-25(10-12-39-27(22)14-18)33-28(35)16-26(19-3-5-20(31)6-4-19)34-40(36,37)21-7-9-23(29)24(30)15-21/h2-9,14-15,25-26,32,34H,10-13,16-17H2,1H3,(H,33,35)/t25-,26-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209740
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((isobutylamino)me...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-19(2)17-35-18-20-6-11-25-26(12-13-41-28(25)14-20)36-29(38)16-27(21-7-9-23(31)10-8-21)37-42(39,40)24-5-3-4-22(15-24)30(32,33)34/h3-11,14-15,19,26-27,35,37H,12-13,16-18H2,1-2H3,(H,36,38)/t26-,27-/m1/s1
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n/an/a 14.8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209733
PNG
((R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H31N3O4S/c1-31-20-21-11-14-26-27(15-16-37-29(26)17-21)32-30(34)19-28(23-8-3-2-4-9-23)33-38(35,36)25-13-12-22-7-5-6-10-24(22)18-25/h2-14,17-18,27-28,31,33H,15-16,19-20H2,1H3,(H,32,34)/t27-,28-/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at rabbit bradykinin B1 receptor expressed in CHO-D cells assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at African green monkey bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203204
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203203
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m1/s1
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n/an/a 519n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at rat bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
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n/an/a 418n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182225
PNG
(CHEMBL206901 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H36F3N3O4S/c1-27(2,3)32-18-19-10-11-23-24(12-14-38-25(23)15-19)33-26(35)17-21-8-4-5-13-34(21)39(36,37)22-9-6-7-20(16-22)28(29,30)31/h6-7,9-11,15-16,21,24,32H,4-5,8,12-14,17-18H2,1-3H3,(H,33,35)/t21-,24+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor by calcium influx functional assay


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182240
PNG
(CHEMBL206801 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N3O4S/c1-26(2,3)31-17-18-9-10-22-23(11-13-37-24(22)14-18)32-25(34)16-20-7-5-12-33(20)38(35,36)21-8-4-6-19(15-21)27(28,29)30/h4,6,8-10,14-15,20,23,31H,5,7,11-13,16-17H2,1-3H3,(H,32,34)/t20-,23+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/an/a 39.8n/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor assessed as prevention of Lys-desArg9-Bk-induced contraction in human umbilical vein


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182225
PNG
(CHEMBL206901 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H36F3N3O4S/c1-27(2,3)32-18-19-10-11-23-24(12-14-38-25(23)15-19)33-26(35)17-21-8-4-5-13-34(21)39(36,37)22-9-6-7-20(16-22)28(29,30)31/h6-7,9-11,15-16,21,24,32H,4-5,8,12-14,17-18H2,1-3H3,(H,33,35)/t21-,24+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182240
PNG
(CHEMBL206801 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N3O4S/c1-26(2,3)31-17-18-9-10-22-23(11-13-37-24(22)14-18)32-25(34)16-20-7-5-12-33(20)38(35,36)21-8-4-6-19(15-21)27(28,29)30/h4,6,8-10,14-15,20,23,31H,5,7,11-13,16-17H2,1-3H3,(H,32,34)/t20-,23+/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor by calcium influx functional assay


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair