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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'steinsträsser' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Cavia porcellus)
BDBM50403371
PNG
(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
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n/an/a 1.10n/an/an/an/an/an/a



Zentrale Pharmaforschung

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig ileal membrane receptor assay.


J Med Chem 38: 2799-801 (1995)


BindingDB Entry DOI: 10.7270/Q2028S70
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50403371
PNG
(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
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n/an/a 5.40n/an/an/an/an/an/a



Zentrale Pharmaforschung

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig pulmonary artery assay.


J Med Chem 38: 2799-801 (1995)


BindingDB Entry DOI: 10.7270/Q2028S70
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50032158
PNG
(CHEMBL2370243 | CPTA-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCCNCCNCCCNCC2)cc1)c1cccs1)C(O)=O
Show InChI InChI=1S/C76H115N23O14S/c77-74(78)86-28-5-16-53(90-64(103)47-23-21-46(22-24-47)41-95-34-11-27-84-32-31-83-25-10-26-85-33-36-95)65(104)91-54(17-6-29-87-75(79)80)69(108)96-35-8-19-57(96)71(110)98-44-51(101)39-58(98)66(105)89-40-61(102)94-62(60-20-9-37-114-60)67(106)93-56(45-100)70(109)97-42-49-13-2-1-12-48(49)38-59(97)72(111)99-43-50-14-3-4-15-52(50)63(99)68(107)92-55(73(112)113)18-7-30-88-76(81)82/h1-2,9,12-13,20-24,37,50-59,62-63,83-85,100-101H,3-8,10-11,14-19,25-36,38-45H2,(H,89,105)(H,90,103)(H,91,104)(H,92,107)(H,93,106)(H,94,102)(H,112,113)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)/t50?,51-,52?,53-,54+,55+,56+,57+,58+,59-,62-,63+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Zentrale Pharmaforschung

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig ileal membrane receptor assay.


J Med Chem 38: 2799-801 (1995)


BindingDB Entry DOI: 10.7270/Q2028S70
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50032158
PNG
(CHEMBL2370243 | CPTA-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCCNCCNCCCNCC2)cc1)c1cccs1)C(O)=O
Show InChI InChI=1S/C76H115N23O14S/c77-74(78)86-28-5-16-53(90-64(103)47-23-21-46(22-24-47)41-95-34-11-27-84-32-31-83-25-10-26-85-33-36-95)65(104)91-54(17-6-29-87-75(79)80)69(108)96-35-8-19-57(96)71(110)98-44-51(101)39-58(98)66(105)89-40-61(102)94-62(60-20-9-37-114-60)67(106)93-56(45-100)70(109)97-42-49-13-2-1-12-48(49)38-59(97)72(111)99-43-50-14-3-4-15-52(50)63(99)68(107)92-55(73(112)113)18-7-30-88-76(81)82/h1-2,9,12-13,20-24,37,50-59,62-63,83-85,100-101H,3-8,10-11,14-19,25-36,38-45H2,(H,89,105)(H,90,103)(H,91,104)(H,92,107)(H,93,106)(H,94,102)(H,112,113)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)/t50?,51-,52?,53-,54+,55+,56+,57+,58+,59-,62-,63+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Zentrale Pharmaforschung

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig pulmonary artery assay.


J Med Chem 38: 2799-801 (1995)


BindingDB Entry DOI: 10.7270/Q2028S70
More data for this
Ligand-Target Pair