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BDBM107214 US8592426, 65

SMILES: COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1

InChI Key: InChIKey=HOONOQPHTXFQCK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107214   
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))
BDBM107214
PNG
(US8592426, 65)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C25H21ClFN7O4S/c1-34-31-22(30-33-34)21-15(8-13(26)9-16(21)27)12-3-4-14-17(11-39-19(14)7-12)28-24(36)25(5-6-25)29-23(35)18-10-20(37-2)32-38-18/h3-4,7-10,17H,5-6,11H2,1-2H3,(H,28,36)(H,29,35)
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.40n/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))
BDBM107214
PNG
(US8592426, 65)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C25H21ClFN7O4S/c1-34-31-22(30-33-34)21-15(8-13(26)9-16(21)27)12-3-4-14-17(11-39-19(14)7-12)28-24(36)25(5-6-25)29-23(35)18-10-20(37-2)32-38-18/h3-4,7-10,17H,5-6,11H2,1-2H3,(H,28,36)(H,29,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/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