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BDBM107198 US8592426, 48

InChI string: InChI=1S/C26H21ClFN5O6/c1-12-29-23(33-38-12)22-16(8-14(27)9-17(22)28)13-3-4-15-18(11-37-19(15)7-13)30-25(35)26(5-6-26)31-24(34)20-10-21(36-2)32-39-20/h3-4,7-10,18H,5-6,11H2,1-2H3,(H,30,35)(H,31,34)

SMILES: COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1COc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1

InChI Key: InChIKey=RQIRBNSHBCLESE-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 = 107198   
Target
(Institution)
LigandTarget
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))
BDBM107198
PNG
(US8592426, 48)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1COc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H21ClFN5O6/c1-12-29-23(33-38-12)22-16(8-14(27)9-17(22)28)13-3-4-15-18(11-37-19(15)7-13)30-25(35)26(5-6-26)31-24(34)20-10-21(36-2)32-39-20/h3-4,7-10,18H,5-6,11H2,1-2H3,(H,30,35)(H,31,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
23.8n/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))
BDBM107198
PNG
(US8592426, 48)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1COc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H21ClFN5O6/c1-12-29-23(33-38-12)22-16(8-14(27)9-17(22)28)13-3-4-15-18(11-37-19(15)7-13)30-25(35)26(5-6-26)31-24(34)20-10-21(36-2)32-39-20/h3-4,7-10,18H,5-6,11H2,1-2H3,(H,30,35)(H,31,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 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)

More data for this
Ligand-Target Pair