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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 = 'BDBM107167'   
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-1 Receptor


(Homo sapiens (Human))
BDBM107167
PNG
(US8592426, 16)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cc2CCC(NC(=O)C3(CC3)NC(=O)C(F)(F)F)c2c(F)c1
Show InChI InChI=1S/C24H18ClF5N4O3/c1-10-31-20(34-37-10)19-14(8-13(25)9-16(19)27)12-6-11-2-3-17(18(11)15(26)7-12)32-21(35)23(4-5-23)33-22(36)24(28,29)30/h6-9,17H,2-5H2,1H3,(H,32,35)(H,33,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
11n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


Citation and Details
More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107167
PNG
(US8592426, 16)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cc2CCC(NC(=O)C3(CC3)NC(=O)C(F)(F)F)c2c(F)c1
Show InChI InChI=1S/C24H18ClF5N4O3/c1-10-31-20(34-37-10)19-14(8-13(25)9-16(19)27)12-6-11-2-3-17(18(11)15(26)7-12)32-21(35)23(4-5-23)33-22(36)24(28,29)30/h6-9,17H,2-5H2,1H3,(H,32,35)(H,33,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


Citation and Details
More data for this
Ligand-Target Pair