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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50169823'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50169823
PNG
((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6|
Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)
KEGG

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0.830n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against Human bradykinin receptor B1


Bioorg Med Chem Lett 15: 3925-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.133
BindingDB Entry DOI: 10.7270/Q2NC60Q0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50169823
PNG
((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6|
Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)
KEGG

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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against Human bradykinin receptor B1


Bioorg Med Chem Lett 15: 3925-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.133
BindingDB Entry DOI: 10.7270/Q2NC60Q0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50169823
PNG
((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6|
Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)
KEGG

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1.30n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against Human bradykinin receptor B1


Bioorg Med Chem Lett 15: 3925-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.133
BindingDB Entry DOI: 10.7270/Q2NC60Q0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50169823
PNG
((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6|
Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)
KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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7n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against Human bradykinin receptor B1


Bioorg Med Chem Lett 15: 3925-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.133
BindingDB Entry DOI: 10.7270/Q2NC60Q0
More data for this
Ligand-Target Pair