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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin-1 Receptor' and Ligand = 'BDBM107200'   
Target
(Institution)
LigandTarget
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-1 Receptor


(Homo sapiens (Human))
BDBM107200
PNG
(US8592426, 50)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)c1cncnc1
Show InChI InChI=1S/C27H22ClFN6O4/c1-14-32-24(35-39-14)23-20(7-18(28)8-21(23)29)16-2-4-19-15(6-16)3-5-22(19)33-26(37)27(11-38-12-27)34-25(36)17-9-30-13-31-10-17/h2,4,6-10,13,22H,3,5,11-12H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
4.80n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107200
PNG
(US8592426, 50)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)c1cncnc1
Show InChI InChI=1S/C27H22ClFN6O4/c1-14-32-24(35-39-14)23-20(7-18(28)8-21(23)29)16-2-4-19-15(6-16)3-5-22(19)33-26(37)27(11-38-12-27)34-25(36)17-9-30-13-31-10-17/h2,4,6-10,13,22H,3,5,11-12H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair