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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'reider' and Initial = 'pj'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
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0.240n/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))
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))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
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1.30n/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))
BDBM50203211
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]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
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1.60n/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 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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24772
PNG
(2-[(4-fluorophenyl)amino]-5-[5-({6-methoxy-7-[3-(m...)
Show SMILES COc1cc2c(Oc3ccc(nc3)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H33FN6O5/c1-39-32(41)26(21-37-33(39)38-23-6-4-22(34)5-7-23)27-9-8-24(20-36-27)45-29-10-11-35-28-19-31(30(42-2)18-25(28)29)44-15-3-12-40-13-16-43-17-14-40/h4-11,18-21H,3,12-17H2,1-2H3,(H,37,38)
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3.40 -47.8n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24769
PNG
(5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H33F2N5O5/c1-40-33(42)26(21-38-34(40)39-24-7-5-23(35)6-8-24)22-4-9-30(27(36)18-22)46-29-10-11-37-28-20-32(31(43-2)19-25(28)29)45-15-3-12-41-13-16-44-17-14-41/h4-11,18-21H,3,12-17H2,1-2H3,(H,38,39)
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4.90 -47.0n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24751
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
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8.90 -45.5n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24754
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(4-methylp...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H38FN5O4/c1-40-15-17-42(18-16-40)14-7-19-45-34-23-30-27(22-33(34)44-3)31(12-13-38-30)46-32-11-10-26(21-29(32)37)28-24-39-35(41(2)36(28)43)20-25-8-5-4-6-9-25/h4-6,8-13,21-24H,7,14-20H2,1-3H3
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9.20 -45.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24764
PNG
(5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccc(C)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C36H37FN4O5/c1-24-5-7-25(8-6-24)19-35-39-23-28(36(42)40(35)2)26-9-10-32(29(37)20-26)46-31-11-12-38-30-22-34(33(43-3)21-27(30)31)45-16-4-13-41-14-17-44-18-15-41/h5-12,20-23H,4,13-19H2,1-3H3
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9.60 -45.3n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24752
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(pyrrolidi...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C35H35FN4O4/c1-39-34(19-24-9-4-3-5-10-24)38-23-27(35(39)41)25-11-12-31(28(36)20-25)44-30-13-14-37-29-22-33(32(42-2)21-26(29)30)43-18-8-17-40-15-6-7-16-40/h3-5,9-14,20-23H,6-8,15-19H2,1-2H3
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12 -44.8n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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14 -44.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
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15.8n/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 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))
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))
BDBM50203206
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C33H37N3O3S/c1-25(27-16-14-26(15-17-27)24-36-20-8-3-9-21-36)34-33(37)23-32(29-11-4-2-5-12-29)35-40(38,39)31-19-18-28-10-6-7-13-30(28)22-31/h2,4-7,10-19,22,25,32,35H,3,8-9,20-21,23-24H2,1H3,(H,34,37)/t25-,32-/m1/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24765
PNG
(5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H34F2N4O5/c1-40-34(18-23-4-7-25(36)8-5-23)39-22-27(35(40)42)24-6-9-31(28(37)19-24)46-30-10-11-38-29-21-33(32(43-2)20-26(29)30)45-15-3-12-41-13-16-44-17-14-41/h4-11,19-22H,3,12-18H2,1-2H3
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17 -43.9n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24755
PNG
(2-benzyl-5-[4-({7-[3-(4-ethylpiperazin-1-yl)propox...)
Show SMILES CCN1CCN(CCCOc2cc3nccc(Oc4ccc(cc4F)-c4cnc(Cc5ccccc5)n(C)c4=O)c3cc2OC)CC1
Show InChI InChI=1S/C37H40FN5O4/c1-4-42-16-18-43(19-17-42)15-8-20-46-35-24-31-28(23-34(35)45-3)32(13-14-39-31)47-33-12-11-27(22-30(33)38)29-25-40-36(41(2)37(29)44)21-26-9-6-5-7-10-26/h5-7,9-14,22-25H,4,8,15-21H2,1-3H3
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21 -43.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24753
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(1H-1,2,4-...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCn1cncn1
Show InChI InChI=1S/C33H29FN6O4/c1-39-32(15-22-7-4-3-5-8-22)37-19-25(33(39)41)23-9-10-29(26(34)16-23)44-28-11-12-36-27-18-31(30(42-2)17-24(27)28)43-14-6-13-40-21-35-20-38-40/h3-5,7-12,16-21H,6,13-15H2,1-2H3
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29 -42.6n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24760
PNG
(N-[(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluor...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)CN(C)C)c4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C33H32FN5O5/c1-38(2)19-30(40)37-31(20-9-7-6-8-10-20)32-36-18-23(33(41)39(32)3)21-11-12-27(24(34)15-21)44-26-13-14-35-25-17-29(43-5)28(42-4)16-22(25)26/h6-18,31H,19H2,1-5H3,(H,37,40)
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30 -42.5n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203208
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]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
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31n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24756
PNG
(2-benzyl-5-[3-fluoro-4-({7-[3-(4-hydroxypiperidin-...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCC(O)CC1
Show InChI InChI=1S/C36H37FN4O5/c1-40-35(19-24-7-4-3-5-8-24)39-23-28(36(40)43)25-9-10-32(29(37)20-25)46-31-11-14-38-30-22-34(33(44-2)21-27(30)31)45-18-6-15-41-16-12-26(42)13-17-41/h3-5,7-11,14,20-23,26,42H,6,12-13,15-19H2,1-2H3
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33 -42.3n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24770
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4cccc(F)c4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-6-4-5-17(29)12-18)16-7-8-24(21(30)11-16)38-23-9-10-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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38 -41.9n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24750
PNG
(2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3
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39 -41.9n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24767
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4F)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)18(15-32-28(34)33-21-7-5-4-6-19(21)29)16-8-9-24(20(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-17(22)23/h4-15H,1-3H3,(H,32,33)
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45 -41.5n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24762
PNG
(N-[(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluor...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)CCSC)c4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C33H31FN4O5S/c1-38-32(31(20-8-6-5-7-9-20)37-30(39)13-15-44-4)36-19-23(33(38)40)21-10-11-27(24(34)16-21)43-26-12-14-35-25-18-29(42-3)28(41-2)17-22(25)26/h5-12,14,16-19,31H,13,15H2,1-4H3,(H,37,39)
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52 -41.2n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24766
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
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63 -40.7n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24761
PNG
(N-[(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluor...)
Show SMILES CCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C
Show InChI InChI=1S/C32H29FN4O5/c1-5-29(38)36-30(19-9-7-6-8-10-19)31-35-18-22(32(39)37(31)2)20-11-12-26(23(33)15-20)42-25-13-14-34-24-17-28(41-4)27(40-3)16-21(24)25/h6-18,30H,5H2,1-4H3,(H,36,38)
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71 -40.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24759
PNG
(2-[amino(phenyl)methyl]-5-{4-[(6,7-dimethoxyquinol...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(N)c4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C29H25FN4O4/c1-34-28(27(31)17-7-5-4-6-8-17)33-16-20(29(34)35)18-9-10-24(21(30)13-18)38-23-11-12-32-22-15-26(37-3)25(36-2)14-19(22)23/h4-16,27H,31H2,1-3H3
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72 -40.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24772
PNG
(2-[(4-fluorophenyl)amino]-5-[5-({6-methoxy-7-[3-(m...)
Show SMILES COc1cc2c(Oc3ccc(nc3)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H33FN6O5/c1-39-32(41)26(21-37-33(39)38-23-6-4-22(34)5-7-23)27-9-8-24(20-36-27)45-29-10-11-35-28-19-31(30(42-2)18-25(28)29)44-15-3-12-40-13-16-43-17-14-40/h4-11,18-21H,3,12-17H2,1-2H3,(H,37,38)
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83 -40.0n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24757
PNG
(2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)[nH]c3=O)c2cc1OC
Show InChI InChI=1S/C28H22FN3O4/c1-34-25-14-19-22(15-26(25)35-2)30-11-10-23(19)36-24-9-8-18(13-21(24)29)20-16-31-27(32-28(20)33)12-17-6-4-3-5-7-17/h3-11,13-16H,12H2,1-2H3,(H,31,32,33)
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107 -39.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203202
PNG
((R)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(naphthal...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)/t31-/m1/s1
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132n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24771
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(cc4)C(F)(F)F)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C29H22F4N4O4/c1-37-27(38)20(15-35-28(37)36-18-7-5-17(6-8-18)29(31,32)33)16-4-9-24(21(30)12-16)41-23-10-11-34-22-14-26(40-3)25(39-2)13-19(22)23/h4-15H,1-3H3,(H,35,36)
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136 -38.8n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24769
PNG
(5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H33F2N5O5/c1-40-33(42)26(21-38-34(40)39-24-7-5-23(35)6-8-24)22-4-9-30(27(36)18-22)46-29-10-11-37-28-20-32(31(43-2)19-25(28)29)45-15-3-12-41-13-16-44-17-14-41/h4-11,18-21H,3,12-17H2,1-2H3,(H,38,39)
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139 -38.7n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24763
PNG
(1-[(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluor...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)N(C)C)c4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C32H30FN5O5/c1-37(2)32(40)36-29(19-9-7-6-8-10-19)30-35-18-22(31(39)38(30)3)20-11-12-26(23(33)15-20)43-25-13-14-34-24-17-28(42-5)27(41-4)16-21(24)25/h6-18,29H,1-5H3,(H,36,40)
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368 -36.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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382 -36.3n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
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382n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24751
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
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PubMed
422 -36.0n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24758
PNG
(2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3c(C)nc(Cc4ccccc4)[nH]c3=O)c2cc1OC
Show InChI InChI=1S/C29H24FN3O4/c1-17-28(29(34)33-27(32-17)13-18-7-5-4-6-8-18)19-9-10-24(21(30)14-19)37-23-11-12-31-22-16-26(36-3)25(35-2)15-20(22)23/h4-12,14-16H,13H2,1-3H3,(H,32,33,34)
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489 -35.7n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24750
PNG
(2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3
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>1.30E+3>-33.3n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM24765
PNG
(5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H34F2N4O5/c1-40-34(18-23-4-7-25(36)8-5-23)39-22-27(35(40)42)24-6-9-31(28(37)19-24)46-30-10-11-38-29-21-33(32(43-2)20-26(29)30)45-15-3-12-41-13-16-44-17-14-41/h4-11,19-22H,3,12-18H2,1-2H3
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>3.00E+3>-31.2n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)


Article DOI: 10.1021/jm8006189
BindingDB Entry DOI: 10.7270/Q23X84XN
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203198
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]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
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1.33E+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))
BDBM50203208
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]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
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1.50E+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))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
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1.60E+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))
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))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
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3.50E+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))
BDBM50203211
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]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
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4.92E+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
BDKRB2


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
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5.60E+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))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
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5.70E+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
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