BindingDB logo
myBDB logout

BDBM107193 US8592426, 42

InChI string: InChI=1S/C27H23ClFN7O4/c1-13-33-23(36-40-13)21-18(8-17(28)9-19(21)29)15-7-14-3-4-20(22(14)30-10-15)34-25(38)27(5-6-27)35-24(37)16-11-31-26(39-2)32-12-16/h7-12,20H,3-6H2,1-2H3,(H,34,38)(H,35,37)

SMILES: COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1

InChI Key: InChIKey=SNCVXRFWMPIJGT-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 = 107193   
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))
BDBM107193
PNG
(US8592426, 42)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C27H23ClFN7O4/c1-13-33-23(36-40-13)21-18(8-17(28)9-19(21)29)15-7-14-3-4-20(22(14)30-10-15)34-25(38)27(5-6-27)35-24(37)16-11-31-26(39-2)32-12-16/h7-12,20H,3-6H2,1-2H3,(H,34,38)(H,35,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
4n/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))
BDBM107193
PNG
(US8592426, 42)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C27H23ClFN7O4/c1-13-33-23(36-40-13)21-18(8-17(28)9-19(21)29)15-7-14-3-4-20(22(14)30-10-15)34-25(38)27(5-6-27)35-24(37)16-11-31-26(39-2)32-12-16/h7-12,20H,3-6H2,1-2H3,(H,34,38)(H,35,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair