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BDBM107213 US8592426, 64

InChI string: InChI=1S/C24H19ClFN7O3S/c1-33-31-21(30-32-33)20-15(9-13(25)10-16(20)26)12-2-3-14-17(11-37-19(14)8-12)28-23(35)24(5-6-24)29-22(34)18-4-7-27-36-18/h2-4,7-10,17H,5-6,11H2,1H3,(H,28,35)(H,29,34)

SMILES: Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1

InChI Key: InChIKey=LXQWSJLJIHTFOW-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 = 107213   
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))
BDBM107213
PNG
(US8592426, 64)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1
Show InChI InChI=1S/C24H19ClFN7O3S/c1-33-31-21(30-32-33)20-15(9-13(25)10-16(20)26)12-2-3-14-17(11-37-19(14)8-12)28-23(35)24(5-6-24)29-22(34)18-4-7-27-36-18/h2-4,7-10,17H,5-6,11H2,1H3,(H,28,35)(H,29,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
7.10n/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))
BDBM107213
PNG
(US8592426, 64)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1
Show InChI InChI=1S/C24H19ClFN7O3S/c1-33-31-21(30-32-33)20-15(9-13(25)10-16(20)26)12-2-3-14-17(11-37-19(14)8-12)28-23(35)24(5-6-24)29-22(34)18-4-7-27-36-18/h2-4,7-10,17H,5-6,11H2,1H3,(H,28,35)(H,29,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair