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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50157509   
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))
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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Article
PubMed
81n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair