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BDBM107159 US8592426, 8

SMILES: Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)C(F)(F)F

InChI Key: InChIKey=YOFLVURHBHANJB-KRWDZBQOSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107159   
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
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107159
PNG
(US8592426, 8)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H19ClF4N6O3/c1-34-32-19(31-33-34)18-15(7-13(24)8-16(18)25)12-2-4-14-11(6-12)3-5-17(14)29-20(35)22(9-37-10-22)30-21(36)23(26,27)28/h2,4,6-8,17H,3,5,9-10H2,1H3,(H,29,35)(H,30,36)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
30.3n/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)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107159
PNG
(US8592426, 8)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H19ClF4N6O3/c1-34-32-19(31-33-34)18-15(7-13(24)8-16(18)25)12-2-4-14-11(6-12)3-5-17(14)29-20(35)22(9-37-10-22)30-21(36)23(26,27)28/h2,4,6-8,17H,3,5,9-10H2,1H3,(H,29,35)(H,30,36)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24.4n/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)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair