Found 49 hits with Last Name = 'daffix' and Initial = 'i' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089314
(CHEMBL405182 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089307
(CHEMBL410579 | H-Lys-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D...)Show SMILES NCCCCC(N)C(=O)NC(CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C55H81N15O13S/c56-19-7-5-13-35(58)47(76)63-36(14-6-8-20-57)48(77)64-37(15-9-21-61-55(59)60)52(81)68-22-10-17-41(68)54(83)69-27-34(72)25-42(69)50(79)62-26-44(73)67-46(33-23-31-11-1-2-12-32(31)24-33)51(80)65-38(29-71)49(78)66-39-30-84-43-18-4-3-16-40(43)70(53(39)82)28-45(74)75/h1-4,11-12,16,18,33-39,41-42,46,71-72H,5-10,13-15,17,19-30,56-58H2,(H,62,79)(H,63,76)(H,64,77)(H,65,80)(H,66,78)(H,67,73)(H,74,75)(H4,59,60,61)/t34?,35?,36?,37-,38+,39-,41+,42+,46?/m1/s1 | PDB
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| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50403371
(Firazyr | HOE-140 | ICATIBANT)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50403371
(Firazyr | HOE-140 | ICATIBANT)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
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| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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| 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081659
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-Lys-H)-4-oxo-3,4-dihyd...)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N17O13S2/c52-16-4-3-10-30(53)42(73)63-31(11-5-17-58-50(54)55)46(77)66-19-7-14-37(66)48(79)67-24-28(70)21-38(67)45(76)60-23-40(71)62-33(22-29-9-8-20-82-29)43(74)64-34(26-69)44(75)65-35-27-83-39-15-2-1-13-36(39)68(47(35)78)25-41(72)61-32(49(80)81)12-6-18-59-51(56)57/h1-2,8-9,13,15,20,28,30-35,37-38,69-70H,3-7,10-12,14,16-19,21-27,52-53H2,(H,60,76)(H,61,72)(H,62,71)(H,63,73)(H,64,74)(H,65,75)(H,80,81)(H4,54,55,58)(H4,56,57,59)/t28?,30-,31-,32+,33-,34-,35?,37-,38-/m0/s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50403371
(Firazyr | HOE-140 | ICATIBANT)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | UniProtKB/SwissProt
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| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089308
(CHEMBL412349 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-DTic...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(Cc2ccccc12)C(=O)NC(CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C59H83N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79-80H,5-8,14-16,18-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37?,38-,39?,40?,41+,43+,44+,45?,46?/m1/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089313
(CHEMBL412824 | H-Lys-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C45H65N13O12S2/c46-14-4-3-9-27(47)38(64)53-28(10-5-15-50-45(48)49)42(68)56-16-6-12-33(56)44(70)57-21-25(60)18-34(57)41(67)51-20-36(61)52-29(19-26-8-7-17-71-26)39(65)54-30(23-59)40(66)55-31-24-72-35-13-2-1-11-32(35)58(43(31)69)22-37(62)63/h1-2,7-8,11,13,17,25,27-31,33-34,59-60H,3-6,9-10,12,14-16,18-24,46-47H2,(H,51,67)(H,52,61)(H,53,64)(H,54,65)(H,55,66)(H,62,63)(H4,48,49,50)/t25?,27?,28-,29?,30+,31-,33+,34+/m1/s1 | PDB
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| PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089313
(CHEMBL412824 | H-Lys-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C45H65N13O12S2/c46-14-4-3-9-27(47)38(64)53-28(10-5-15-50-45(48)49)42(68)56-16-6-12-33(56)44(70)57-21-25(60)18-34(57)41(67)51-20-36(61)52-29(19-26-8-7-17-71-26)39(65)54-30(23-59)40(66)55-31-24-72-35-13-2-1-11-32(35)58(43(31)69)22-37(62)63/h1-2,7-8,11,13,17,25,27-31,33-34,59-60H,3-6,9-10,12,14-16,18-24,46-47H2,(H,51,67)(H,52,61)(H,53,64)(H,54,65)(H,55,66)(H,62,63)(H4,48,49,50)/t25?,27?,28-,29?,30+,31-,33+,34+/m1/s1 | PDB
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| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | UniProtKB/SwissProt
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against rat Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408748
(CHEMBL2112698)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34-,36+,37+/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081660
((JMV 1116) H-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-Ar...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31-,32+,33+,34?,36+,37+/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089310
(2-({1-[2-(2-{2-[(1-{1-[2-(2,6-Diamino-hexanoylamin...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)C(N)CCCCN)C(O)=O Show InChI InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30?,31-,32+,33+,34+,35+,36+,37+/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081663
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-4-oxo-3,4-dih...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1COc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O14S/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-85-28)42(76)66-33(25-71)43(77)67-34-26-84-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31-,32+,33+,34?,36+,37+/m1/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089312
(CHEMBL408846 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089309
(CHEMBL216618 | H-DArg-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N15O12S/c50-30(10-5-15-55-48(51)52)41(70)58-31(11-6-16-56-49(53)54)45(74)62-17-7-13-35(62)47(76)63-22-29(66)20-36(63)43(72)57-21-38(67)61-40(28-18-26-8-1-2-9-27(26)19-28)44(73)59-32(24-65)42(71)60-33-25-77-37-14-4-3-12-34(37)64(46(33)75)23-39(68)69/h1-4,8-9,12,14,28-33,35-36,40,65-66H,5-7,10-11,13,15-25,50H2,(H,57,72)(H,58,70)(H,59,73)(H,60,71)(H,61,67)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t29?,30?,31-,32+,33-,35+,36+,40?/m1/s1 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081662
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-8-methyl-4-o...)Show SMILES Cc1ccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C(=O)C(CSc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N Show InChI InChI=1S/C52H79N19O13S2/c1-27-12-13-36-39(19-27)86-26-35(47(81)71(36)24-41(75)64-32(49(83)84)10-4-16-62-52(58)59)68-44(78)34(25-72)67-43(77)33(21-29-7-6-18-85-29)65-40(74)22-63-45(79)38-20-28(73)23-70(38)48(82)37-11-5-17-69(37)46(80)31(9-3-15-61-51(56)57)66-42(76)30(53)8-2-14-60-50(54)55/h6-7,12-13,18-19,28,30-35,37-38,72-73H,2-5,8-11,14-17,20-26,53H2,1H3,(H,63,79)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,78)(H,83,84)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t28?,30-,31+,32-,33+,34+,35?,37+,38+/m1/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50408748
(CHEMBL2112698)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34-,36+,37+/m1/s1 | UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089314
(CHEMBL405182 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1 | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089308
(CHEMBL412349 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-DTic...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(Cc2ccccc12)C(=O)NC(CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C59H83N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79-80H,5-8,14-16,18-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,37?,38-,39?,40?,41+,43+,44+,45?,46?/m1/s1 | PDB
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Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089310
(2-({1-[2-(2-{2-[(1-{1-[2-(2,6-Diamino-hexanoylamin...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)C(N)CCCCN)C(O)=O Show InChI InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30?,31-,32+,33+,34+,35+,36+,37+/m1/s1 | PDB
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Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089306
(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentano...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1 | PDB
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| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081653
(CHEMBL413386 | [2-[2-(3-Amino-4-oxo-3,4-dihydro-2H...)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C47H67N15O12S/c48-28(11-6-16-53-46(49)50)42(70)60-18-8-14-34(60)44(72)61-22-27(64)20-35(61)41(69)55-21-37(65)57-30(19-26-9-2-1-3-10-26)39(67)58-31(24-63)40(68)59-32-25-75-36-15-5-4-13-33(36)62(43(32)71)23-38(66)56-29(45(73)74)12-7-17-54-47(51)52/h1-5,9-10,13,15,27-32,34-35,63-64H,6-8,11-12,14,16-25,48H2,(H,55,69)(H,56,66)(H,57,65)(H,58,67)(H,59,68)(H,73,74)(H4,49,50,53)(H4,51,52,54)/t27?,28-,29+,30-,31-,32?,34-,35-/m0/s1 | PDB
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Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081656
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-3,5-dibenzyl-...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@]1(Cc2ccccc2)C(=O)C(Cc2ccccc2)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C60H85N19O14S/c61-38(17-7-21-68-57(62)63)49(85)74-39(18-8-22-69-58(64)65)53(89)77-24-10-20-43(77)54(90)78-31-36(81)27-45(78)52(88)71-30-46(82)73-41(28-37-16-11-25-94-37)50(86)75-42(33-80)51(87)76-60(29-35-14-5-2-6-15-35)48(84)44(26-34-12-3-1-4-13-34)79(56(60)93)32-47(83)72-40(55(91)92)19-9-23-70-59(66)67/h1-6,11-16,25,36,38-45,80-81H,7-10,17-24,26-33,61H2,(H,71,88)(H,72,83)(H,73,82)(H,74,85)(H,75,86)(H,76,87)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t36?,38-,39+,40+,41+,42+,43+,44?,45+,60-/m1/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081652
((RMP-7)H-Arg-Pro-Hyp-Gly-Ser-Pro-4-Me-Tyr(CH2NH2)-...)Show SMILES COc1ccc(C[C@@H](CN[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(N)=N)cc1 Show InChI InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30?,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081654
((RMP-7) H-Arg-Pro-Hyp-Gly-Thi-Ser-Pro-4-Me-Tyr(CH2...)Show SMILES Cc1ccc(C[C@@H](CN[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2cccs2)NC(=O)CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(N)=N)cc1 Show InChI InChI=1S/C49H75N15O11S/c1-28-12-14-29(15-13-28)21-30(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-76-32)60-40(67)25-58-42(69)39-22-31(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,30-31,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t30-,31?,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089311
(CHEMBL385367 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-D-Ti...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C53H71N15O12S/c54-34(13-5-17-59-52(55)56)44(72)63-35(14-6-18-60-53(57)58)47(75)65-19-7-16-39(65)49(77)67-27-32(70)23-40(67)46(74)61-25-43(71)62-36(24-33-12-8-20-81-33)45(73)64-37(28-69)48(76)66-26-31-11-2-1-9-29(31)21-41(66)50(78)68-38-15-4-3-10-30(38)22-42(68)51(79)80/h1-4,8-12,15,20,32,34-37,39-42,69-70H,5-7,13-14,16-19,21-28,54H2,(H,61,74)(H,62,71)(H,63,72)(H,64,73)(H,79,80)(H4,55,56,59)(H4,57,58,60)/t32?,34?,35-,36?,37+,39+,40+,41?,42?/m1/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089307
(CHEMBL410579 | H-Lys-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D...)Show SMILES NCCCCC(N)C(=O)NC(CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C55H81N15O13S/c56-19-7-5-13-35(58)47(76)63-36(14-6-8-20-57)48(77)64-37(15-9-21-61-55(59)60)52(81)68-22-10-17-41(68)54(83)69-27-34(72)25-42(69)50(79)62-26-44(73)67-46(33-23-31-11-1-2-12-32(31)24-33)51(80)65-38(29-71)49(78)66-39-30-84-43-18-4-3-16-40(43)70(53(39)82)28-45(74)75/h1-4,11-12,16,18,33-39,41-42,46,71-72H,5-10,13-15,17,19-30,56-58H2,(H,62,79)(H,63,76)(H,64,77)(H,65,80)(H,66,78)(H,67,73)(H,74,75)(H4,59,60,61)/t34?,35?,36?,37-,38+,39-,41+,42+,46?/m1/s1 | PDB
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089312
(CHEMBL408846 | H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1 | PDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081657
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-5-pheny...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O |t:62| Show InChI InChI=1S/C57H80N20O13S/c58-35(15-6-20-65-55(59)60)47(82)71-36(16-7-21-66-56(61)62)51(86)75-23-9-19-41(75)52(87)76-28-32(79)25-42(76)50(85)68-27-43(80)70-38(26-33-13-10-24-91-33)48(83)72-39(30-78)49(84)74-46-53(88)77(29-44(81)69-37(54(89)90)17-8-22-67-57(63)64)40-18-5-4-14-34(40)45(73-46)31-11-2-1-3-12-31/h1-5,10-14,18,24,32,35-39,41-42,46,78-79H,6-9,15-17,19-23,25-30,58H2,(H,68,85)(H,69,81)(H,70,80)(H,71,82)(H,72,83)(H,74,84)(H,89,90)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32?,35-,36+,37-,38+,39+,41+,42+,46?/m1/s1 | PDB
UniProtKB/SwissProt
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408751
(CHEMBL2111891)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCc2cccc3C[C@@H](N(c23)C1=O)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C53H79N19O13S/c54-31(10-2-16-61-51(55)56)42(76)66-32(11-3-17-62-52(57)58)47(81)70-19-5-13-37(70)49(83)71-25-29(74)22-38(71)45(79)64-24-40(75)65-35(23-30-9-6-20-86-30)43(77)69-36(26-73)44(78)67-33-15-14-27-7-1-8-28-21-39(72(41(27)28)48(33)82)46(80)68-34(50(84)85)12-4-18-63-53(59)60/h1,6-9,20,29,31-39,73-74H,2-5,10-19,21-26,54H2,(H,64,79)(H,65,75)(H,66,76)(H,67,78)(H,68,80)(H,69,77)(H,84,85)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t29?,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1 | PDB
UniProtKB/SwissProt
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408750
(CHEMBL2112709)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCc2cccc3C[C@@H](N(c23)C1=O)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C53H79N19O13S/c54-31(10-2-16-61-51(55)56)42(76)66-32(11-3-17-62-52(57)58)47(81)70-19-5-13-37(70)49(83)71-25-29(74)22-38(71)45(79)64-24-40(75)65-35(23-30-9-6-20-86-30)43(77)69-36(26-73)44(78)67-33-15-14-27-7-1-8-28-21-39(72(41(27)28)48(33)82)46(80)68-34(50(84)85)12-4-18-63-53(59)60/h1,6-9,20,29,31-39,73-74H,2-5,10-19,21-26,54H2,(H,64,79)(H,65,75)(H,66,76)(H,67,78)(H,68,80)(H,69,77)(H,84,85)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t29?,31-,32+,33+,34-,35+,36+,37+,38+,39-/m1/s1 | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408749
(CHEMBL2111889)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34+,36+,37+/m1/s1 | PDB
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| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089309
(CHEMBL216618 | H-DArg-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT...)Show SMILES NC(CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N15O12S/c50-30(10-5-15-55-48(51)52)41(70)58-31(11-6-16-56-49(53)54)45(74)62-17-7-13-35(62)47(76)63-22-29(66)20-36(63)43(72)57-21-38(67)61-40(28-18-26-8-1-2-9-27(26)19-28)44(73)59-32(24-65)42(71)60-33-25-77-37-14-4-3-12-34(37)64(46(33)75)23-39(68)69/h1-4,8-9,12,14,28-33,35-36,40,65-66H,5-7,10-11,13,15-25,50H2,(H,57,72)(H,58,70)(H,59,73)(H,60,71)(H,61,67)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t29?,30?,31-,32+,33-,35+,36+,40?/m1/s1 | PDB
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| 325 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089306
(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentano...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1 | PDB
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| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description
Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081665
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-azepan-...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C48H79N19O13S/c49-28(9-3-14-56-46(50)51)38(72)62-30(11-4-15-57-47(52)53)43(77)66-18-6-13-34(66)44(78)67-23-26(69)20-35(67)41(75)59-22-36(70)61-32(21-27-8-7-19-81-27)39(73)64-33(25-68)40(74)63-29-10-1-2-17-65(42(29)76)24-37(71)60-31(45(79)80)12-5-16-58-48(54)55/h7-8,19,26,28-35,68-69H,1-6,9-18,20-25,49H2,(H,59,75)(H,60,71)(H,61,70)(H,62,72)(H,63,74)(H,64,73)(H,79,80)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t26?,28-,29+,30+,31+,32+,33+,34+,35+/m1/s1 | PDB
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| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081658
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-azepan-...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C48H79N19O13S/c49-28(9-3-14-56-46(50)51)38(72)62-30(11-4-15-57-47(52)53)43(77)66-18-6-13-34(66)44(78)67-23-26(69)20-35(67)41(75)59-22-36(70)61-32(21-27-8-7-19-81-27)39(73)64-33(25-68)40(74)63-29-10-1-2-17-65(42(29)76)24-37(71)60-31(45(79)80)12-5-16-58-48(54)55/h7-8,19,26,28-35,68-69H,1-6,9-18,20-25,49H2,(H,59,75)(H,60,71)(H,61,70)(H,62,72)(H,63,74)(H,64,73)(H,79,80)(H4,50,51,56)(H4,52,53,57)(H4,54,55,58)/t26?,28-,29-,30+,31+,32+,33+,34+,35+/m1/s1 | PDB
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| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081666
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-2-oxo-pyrrol...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C46H75N19O13S/c47-26(7-1-12-54-44(48)49)36(70)60-27(8-2-13-55-45(50)51)41(75)64-15-4-10-32(64)42(76)65-21-24(67)18-33(65)39(73)57-20-34(68)59-30(19-25-6-5-17-79-25)37(71)62-31(23-66)38(72)61-28-11-16-63(40(28)74)22-35(69)58-29(43(77)78)9-3-14-56-46(52)53/h5-6,17,24,26-33,66-67H,1-4,7-16,18-23,47H2,(H,57,73)(H,58,69)(H,59,68)(H,60,70)(H,61,72)(H,62,71)(H,77,78)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t24?,26-,27+,28+,29+,30+,31+,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
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| 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081657
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-5-pheny...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O |t:62| Show InChI InChI=1S/C57H80N20O13S/c58-35(15-6-20-65-55(59)60)47(82)71-36(16-7-21-66-56(61)62)51(86)75-23-9-19-41(75)52(87)76-28-32(79)25-42(76)50(85)68-27-43(80)70-38(26-33-13-10-24-91-33)48(83)72-39(30-78)49(84)74-46-53(88)77(29-44(81)69-37(54(89)90)17-8-22-67-57(63)64)40-18-5-4-14-34(40)45(73-46)31-11-2-1-3-12-31/h1-5,10-14,18,24,32,35-39,41-42,46,78-79H,6-9,15-17,19-23,25-30,58H2,(H,68,85)(H,69,81)(H,70,80)(H,71,82)(H,72,83)(H,74,84)(H,89,90)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t32?,35-,36+,37-,38+,39+,41+,42+,46?/m1/s1 | PDB
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| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081655
(2-(3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-2-oxo-pyrr...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C53H81N19O13S/c54-32(12-4-17-61-51(55)56)42(76)66-33(13-5-18-62-52(57)58)47(81)70-20-7-15-38(70)49(83)72-27-30(74)24-40(72)45(79)64-26-41(75)65-36(25-31-11-8-22-86-31)43(77)69-37(28-73)44(78)67-34-16-21-71(48(34)82)39(23-29-9-2-1-3-10-29)46(80)68-35(50(84)85)14-6-19-63-53(59)60/h1-3,8-11,22,30,32-40,73-74H,4-7,12-21,23-28,54H2,(H,64,79)(H,65,75)(H,66,76)(H,67,78)(H,68,80)(H,69,77)(H,84,85)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t30?,32-,33+,34-,35+,36+,37+,38+,39+,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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KEGG
PC cid
PC sid
UniChem
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| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081661
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-2-oxo-pyrrol...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C46H75N19O13S/c47-26(7-1-12-54-44(48)49)36(70)60-27(8-2-13-55-45(50)51)41(75)64-15-4-10-32(64)42(76)65-21-24(67)18-33(65)39(73)57-20-34(68)59-30(19-25-6-5-17-79-25)37(71)62-31(23-66)38(72)61-28-11-16-63(40(28)74)22-35(69)58-29(43(77)78)9-3-14-56-46(52)53/h5-6,17,24,26-33,66-67H,1-4,7-16,18-23,47H2,(H,57,73)(H,58,69)(H,59,68)(H,60,70)(H,61,72)(H,62,71)(H,77,78)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t24?,26-,27+,28-,29+,30+,31+,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC cid
PC sid
UniChem
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| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408749
(CHEMBL2111889)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34+,36+,37+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B1 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50408748
(CHEMBL2112698)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C51H77N19O13S2/c52-29(9-3-15-59-49(53)54)41(75)65-30(10-4-16-60-50(55)56)45(79)68-18-6-13-36(68)47(81)69-23-27(72)20-37(69)44(78)62-22-39(73)64-32(21-28-8-7-19-84-28)42(76)66-33(25-71)43(77)67-34-26-85-38-14-2-1-12-35(38)70(46(34)80)24-40(74)63-31(48(82)83)11-5-17-61-51(57)58/h1-2,7-8,12,14,19,27,29-34,36-37,71-72H,3-6,9-11,13,15-18,20-26,52H2,(H,62,78)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,82,83)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t27?,29-,30+,31+,32+,33+,34-,36+,37+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B1 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081653
(CHEMBL413386 | [2-[2-(3-Amino-4-oxo-3,4-dihydro-2H...)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C47H67N15O12S/c48-28(11-6-16-53-46(49)50)42(70)60-18-8-14-34(60)44(72)61-22-27(64)20-35(61)41(69)55-21-37(65)57-30(19-26-9-2-1-3-10-26)39(67)58-31(24-63)40(68)59-32-25-75-36-15-5-4-13-33(36)62(43(32)71)23-38(66)56-29(45(73)74)12-7-17-54-47(51)52/h1-5,9-10,13,15,27-32,34-35,63-64H,6-8,11-12,14,16-25,48H2,(H,55,69)(H,56,66)(H,57,65)(H,58,67)(H,59,68)(H,73,74)(H4,49,50,53)(H4,51,52,54)/t27?,28-,29+,30-,31-,32?,34-,35-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity against human cloned Bradykinin receptor B1 expressed in CHO cells using [3H]-bradykinin as radioligand |
J Med Chem 42: 4185-92 (1999)
BindingDB Entry DOI: 10.7270/Q25Q4WTF |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50081664
((3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-piperdi...)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O Show InChI InChI=1S/C47H77N19O13S/c48-27(8-1-13-55-45(49)50)37(71)61-29(9-2-14-56-46(51)52)42(76)65-17-5-12-33(65)43(77)66-22-25(68)19-34(66)40(74)58-21-35(69)60-31(20-26-7-6-18-80-26)38(72)63-32(24-67)39(73)62-28-11-4-16-64(41(28)75)23-36(70)59-30(44(78)79)10-3-15-57-47(53)54/h6-7,18,25,27-34,67-68H,1-5,8-17,19-24,48H2,(H,58,74)(H,59,70)(H,60,69)(H,61,71)(H,62,73)(H,63,72)(H,78,79)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t25?,27-,28+,29+,30+,31+,32+,33+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£s Montpellier I et II
Curated by ChEMBL
| Assay Description
Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement. |
J Med Chem 42: 4193-201 (1999)
BindingDB Entry DOI: 10.7270/Q2222VFV |
More data for this
Ligand-Target Pair | |
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