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BDBM107202 US8592426, 52

SMILES: Cc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1

InChI Key: InChIKey=IQUDIMJYXGNLDC-NRFANRHFSA-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 = 107202   
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
Kininogen-1


(Homo sapiens (Human))
BDBM107202
PNG
(US8592426, 52)
Show SMILES Cc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClFN5O5/c1-13-7-22(39-33-13)25(35)32-27(11-37-12-27)26(36)31-21-6-4-15-8-16(3-5-18(15)21)19-9-17(28)10-20(29)23(19)24-30-14(2)38-34-24/h3,5,7-10,21H,4,6,11-12H2,1-2H3,(H,31,36)(H,32,35)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
25.7n/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
Kininogen-1


(Homo sapiens (Human))
BDBM107202
PNG
(US8592426, 52)
Show SMILES Cc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClFN5O5/c1-13-7-22(39-33-13)25(35)32-27(11-37-12-27)26(36)31-21-6-4-15-8-16(3-5-18(15)21)19-9-17(28)10-20(29)23(19)24-30-14(2)38-34-24/h3,5,7-10,21H,4,6,11-12H2,1-2H3,(H,31,36)(H,32,35)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.30n/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