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PubMed code 8691478

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408044
PNG
(CHEMBL3038104)
Show SMILES [#7]-[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7])-[#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](-[#6]-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C52H79N15O12S/c53-35(15-6-18-58-51(54)55)44(73)62-36(16-7-19-59-52(56)57)47(76)64-20-8-17-39(64)49(78)67-27-33(69)23-40(67)46(75)60-25-42(70)61-37(24-34-14-9-21-80-34)45(74)63-38(29-68)48(77)66-26-31-11-5-4-10-30(31)22-41(66)50(79)65(28-43(71)72)32-12-2-1-3-13-32/h4-5,9-11,14,21,32-33,35-41,52,59,68-69H,1-3,6-8,12-13,15-20,22-29,53,56-57H2,(H,60,75)(H,61,70)(H,62,73)(H,63,74)(H,71,72)(H4,54,55,58)/t33-,35-,36+,37+,38+,39+,40+,41-/m1/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408047
PNG
(CHEMBL3038096)
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]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C57H89N19O13S/c58-37(17-7-21-65-55(59)60)47(81)71-38(18-8-22-66-56(61)62)51(85)74-24-10-20-43(74)53(87)76-30-35(78)27-44(76)50(84)68-29-45(79)70-40(28-36-16-11-25-90-36)48(82)73-42(32-77)49(83)72-41(26-33-12-3-1-4-13-33)52(86)75(34-14-5-2-6-15-34)31-46(80)69-39(54(88)89)19-9-23-67-57(63)64/h1,3-4,11-13,16,25,34-35,37-44,77-78H,2,5-10,14-15,17-24,26-32,58H2,(H,68,84)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41-,42+,43+,44+/m1/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408052
PNG
(CHEMBL3038097)
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](-[#6]-[#6]-c1ccccc1)-[#6]-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H91N19O13S/c60-38(15-6-21-67-57(61)62)49(83)72-39(16-7-22-68-58(63)64)54(88)76-24-9-19-44(76)55(89)77-31-36(80)28-45(77)51(85)70-30-47(81)71-41(29-37-14-10-26-92-37)50(84)74-42(33-79)53(87)75(25-20-34-11-2-1-3-12-34)32-48(82)78-43-18-5-4-13-35(43)27-46(78)52(86)73-40(56(90)91)17-8-23-69-59(65)66/h1-3,10-12,14,26,35-36,38-46,79-80H,4-9,13,15-25,27-33,60H2,(H,70,85)(H,71,81)(H,72,83)(H,73,86)(H,74,84)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35?,36-,38+,39+,40+,41+,42+,43?,44+,45+,46+/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408058
PNG
(CHEMBL2028982)
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(CC(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C57H89N19O13S/c58-38(17-7-21-65-55(59)60)48(82)71-39(18-8-22-66-56(61)62)52(86)74-24-10-20-43(74)53(87)76-30-36(78)26-44(76)50(84)68-28-45(79)70-41(27-37-16-11-25-90-37)49(83)72-42(33-77)51(85)73(29-34-12-3-1-4-13-34)32-47(81)75(35-14-5-2-6-15-35)31-46(80)69-40(54(88)89)19-9-23-67-57(63)64/h1,3-4,11-13,16,25,35-36,38-44,77-78H,2,5-10,14-15,17-24,26-33,58H2,(H,68,84)(H,69,80)(H,70,79)(H,71,82)(H,72,83)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t36?,38-,39+,40+,41+,42+,43+,44+/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408048
PNG
(CHEMBL3038099)
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](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C58H89N19O13S/c59-38(16-6-20-66-56(60)61)48(82)72-39(17-7-21-67-57(62)63)51(85)74-23-9-19-43(74)53(87)77-30-36(79)26-44(77)50(84)69-28-46(80)71-41(27-37-15-10-24-91-37)49(83)73-42(32-78)52(86)76-29-34-12-5-4-11-33(34)25-45(76)54(88)75(35-13-2-1-3-14-35)31-47(81)70-40(55(89)90)18-8-22-68-58(64)65/h4-5,10-12,15,24,35-36,38-45,78-79H,1-3,6-9,13-14,16-23,25-32,59H2,(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t36-,38+,39+,40+,41+,42+,43+,44+,45-/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408055
PNG
(CHEMBL3038102)
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](-[#6]-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C58H89N19O13S/c59-37(15-6-20-66-56(60)61)48(82)71-38(16-7-21-67-57(62)63)53(87)75-23-9-19-43(75)54(88)76-30-35(79)26-44(76)50(84)69-28-46(80)70-40(27-36-14-10-24-91-36)49(83)73-41(32-78)52(86)74(29-33-11-2-1-3-12-33)31-47(81)77-42-18-5-4-13-34(42)25-45(77)51(85)72-39(55(89)90)17-8-22-68-58(64)65/h1-3,10-12,14,24,34-35,37-45,78-79H,4-9,13,15-23,25-32,59H2,(H,69,84)(H,70,80)(H,71,82)(H,72,85)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t34?,35-,37+,38+,39+,40+,41+,42?,43+,44+,45+/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408049
PNG
(CHEMBL3038098)
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](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H91N19O13S/c60-39(16-6-20-67-57(61)62)49(83)73-40(17-7-21-68-58(63)64)52(86)76-23-9-19-44(76)55(89)78-31-37(80)26-45(78)51(85)70-28-47(81)72-42(27-38-15-10-24-92-38)50(84)74-43(33-79)53(87)77-30-36-14-5-4-13-35(36)25-46(77)54(88)75(29-34-11-2-1-3-12-34)32-48(82)71-41(56(90)91)18-8-22-69-59(65)66/h4-5,10,13-15,24,34,37,39-46,79-80H,1-3,6-9,11-12,16-23,25-33,60H2,(H,70,85)(H,71,82)(H,72,81)(H,73,83)(H,74,84)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t37-,39+,40+,41+,42+,43+,44+,45+,46-/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50408053
PNG
(CHEMBL3038094)
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](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C57H87N19O13S/c58-37(15-5-19-65-55(59)60)47(81)71-38(16-6-20-66-56(61)62)50(84)73-22-8-18-42(73)52(86)76-29-35(78)25-43(76)49(83)68-27-45(79)70-40(26-36-14-9-23-90-36)48(82)72-41(31-77)51(85)75-28-33-11-2-1-10-32(33)24-44(75)53(87)74(34-12-3-4-13-34)30-46(80)69-39(54(88)89)17-7-21-67-57(63)64/h1-2,9-11,14,23,34-35,37-44,77-78H,3-8,12-13,15-22,24-31,58H2,(H,68,83)(H,69,80)(H,70,79)(H,71,81)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41+,42+,43+,44-/m1/s1
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Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50408044
PNG
(CHEMBL3038104)
Show SMILES [#7]-[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7])-[#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](-[#6]-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C52H79N15O12S/c53-35(15-6-18-58-51(54)55)44(73)62-36(16-7-19-59-52(56)57)47(76)64-20-8-17-39(64)49(78)67-27-33(69)23-40(67)46(75)60-25-42(70)61-37(24-34-14-9-21-80-34)45(74)63-38(29-68)48(77)66-26-31-11-5-4-10-30(31)22-41(66)50(79)65(28-43(71)72)32-12-2-1-3-13-32/h4-5,9-11,14,21,32-33,35-41,52,59,68-69H,1-3,6-8,12-13,15-20,22-29,53,56-57H2,(H,60,75)(H,61,70)(H,62,73)(H,63,74)(H,71,72)(H4,54,55,58)/t33-,35-,36+,37+,38+,39+,40+,41-/m1/s1
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n/an/an/a 174n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50408053
PNG
(CHEMBL3038094)
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](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C57H87N19O13S/c58-37(15-5-19-65-55(59)60)47(81)71-38(16-6-20-66-56(61)62)50(84)73-22-8-18-42(73)52(86)76-29-35(78)25-43(76)49(83)68-27-45(79)70-40(26-36-14-9-23-90-36)48(82)72-41(31-77)51(85)75-28-33-11-2-1-10-32(33)24-44(75)53(87)74(34-12-3-4-13-34)30-46(80)69-39(54(88)89)17-7-21-67-57(63)64/h1-2,9-11,14,23,34-35,37-44,77-78H,3-8,12-13,15-22,24-31,58H2,(H,68,83)(H,69,80)(H,70,79)(H,71,81)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41+,42+,43+,44-/m1/s1
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n/an/an/a 3.16n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50408047
PNG
(CHEMBL3038096)
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]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C57H89N19O13S/c58-37(17-7-21-65-55(59)60)47(81)71-38(18-8-22-66-56(61)62)51(85)74-24-10-20-43(74)53(87)76-30-35(78)27-44(76)50(84)68-29-45(79)70-40(28-36-16-11-25-90-36)48(82)73-42(32-77)49(83)72-41(26-33-12-3-1-4-13-33)52(86)75(34-14-5-2-6-15-34)31-46(80)69-39(54(88)89)19-9-23-67-57(63)64/h1,3-4,11-13,16,25,34-35,37-44,77-78H,2,5-10,14-15,17-24,26-32,58H2,(H,68,84)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41-,42+,43+,44+/m1/s1
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n/an/an/a 18.6n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50408055
PNG
(CHEMBL3038102)
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](-[#6]-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-c1ccccc1
Show InChI InChI=1S/C58H89N19O13S/c59-37(15-6-20-66-56(60)61)48(82)71-38(16-7-21-67-57(62)63)53(87)75-23-9-19-43(75)54(88)76-30-35(79)26-44(76)50(84)69-28-46(80)70-40(27-36-14-10-24-91-36)49(83)73-41(32-78)52(86)74(29-33-11-2-1-3-12-33)31-47(81)77-42-18-5-4-13-34(42)25-45(77)51(85)72-39(55(89)90)17-8-22-68-58(64)65/h1-3,10-12,14,24,34-35,37-45,78-79H,4-9,13,15-23,25-32,59H2,(H,69,84)(H,70,80)(H,71,82)(H,72,85)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t34?,35-,37+,38+,39+,40+,41+,42?,43+,44+,45+/m1/s1
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n/an/an/a 50.1n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50408045
PNG
(CHEMBL2372278)
Show SMILES NC(=N)NCCCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C52H76N14O12S/c53-51(54)57-19-7-6-18-44(71)63-21-9-17-39(63)48(75)66-28-34(68)24-40(66)46(73)59-26-42(69)61-37(25-35-15-10-22-79-35)45(72)62-38(30-67)47(74)65-27-32-12-5-4-11-31(32)23-41(65)49(76)64(33-13-2-1-3-14-33)29-43(70)60-36(50(77)78)16-8-20-58-52(55)56/h4-5,10-12,15,22,33-34,36-41,67-68H,1-3,6-9,13-14,16-21,23-30H2,(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H,77,78)(H4,53,54,57)(H4,55,56,58)/t34-,36-,37-,38-,39+,40+,41+/m0/s1
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n/an/an/a 0.490n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%