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Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 50002695   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50407817
PNG
(CHEMBL294278)
Show SMILES NCCCC(=O)NC(Cc1cccs1)C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C36H50N8O6S/c37-15-5-14-31(45)41-27(20-25-11-7-17-51-25)33(47)43-21-24-10-2-1-8-22(24)18-30(43)34(48)44-28-13-4-3-9-23(28)19-29(44)32(46)42-26(35(49)50)12-6-16-40-36(38)39/h1-2,7-8,10-11,17,23,26-30H,3-6,9,12-16,18-21,37H2,(H,41,45)(H,42,46)(H,49,50)(H4,38,39,40)
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n/an/an/a 251n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50407815
PNG
(CHEMBL65100)
Show SMILES NCCCC(=O)NC(Cc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C38H52N8O6/c39-18-8-17-33(47)43-29(20-24-10-2-1-3-11-24)35(49)45-23-27-14-5-4-12-25(27)21-32(45)36(50)46-30-16-7-6-13-26(30)22-31(46)34(48)44-28(37(51)52)15-9-19-42-38(40)41/h1-5,10-12,14,26,28-32H,6-9,13,15-23,39H2,(H,43,47)(H,44,48)(H,51,52)(H4,40,41,42)
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n/an/an/a 363n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50407806
PNG
(CHEMBL304374)
Show SMILES NCCCCCCCCCC(=O)NC(Cc1cccs1)C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C42H62N8O6S/c43-21-11-5-3-1-2-4-6-20-37(51)47-33(26-31-17-13-23-57-31)39(53)49-27-30-16-8-7-14-28(30)24-36(49)40(54)50-34-19-10-9-15-29(34)25-35(50)38(52)48-32(41(55)56)18-12-22-46-42(44)45/h7-8,13-14,16-17,23,29,32-36H,1-6,9-12,15,18-22,24-27,43H2,(H,47,51)(H,48,52)(H,55,56)(H4,44,45,46)
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n/an/an/a 468n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50407816
PNG
(CHEMBL63532)
Show SMILES NC(=N)NCCCCC(=O)NC(Cc1cccs1)C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C38H54N10O6S/c39-37(40)43-16-6-5-15-32(49)45-28(21-26-12-8-18-55-26)34(51)47-22-25-11-2-1-9-23(25)19-31(47)35(52)48-29-14-4-3-10-24(29)20-30(48)33(50)46-27(36(53)54)13-7-17-44-38(41)42/h1-2,8-9,11-12,18,24,27-31H,3-7,10,13-17,19-22H2,(H,45,49)(H,46,50)(H,53,54)(H4,39,40,43)(H4,41,42,44)
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n/an/an/a 3.02E+3n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50407804
PNG
(CHEMBL406472)
Show SMILES NC(=N)NCCCCCC(=O)NC(Cc1cccs1)C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C39H56N10O6S/c40-38(41)44-17-7-1-2-16-33(50)46-29(22-27-13-9-19-56-27)35(52)48-23-26-12-4-3-10-24(26)20-32(48)36(53)49-30-15-6-5-11-25(30)21-31(49)34(51)47-28(37(54)55)14-8-18-45-39(42)43/h3-4,9-10,12-13,19,25,28-32H,1-2,5-8,11,14-18,20-23H2,(H,46,50)(H,47,51)(H,54,55)(H4,40,41,44)(H4,42,43,45)
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n/an/an/a 3.39E+3n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.


J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair