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SMILES: COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=NUIDKWQAWKKXKU-UHFFFAOYSA-N

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 = 50182460   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182460
PNG
(CHEMBL201041 | methyl 4'-[({[1-({[5-(trifluorometh...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N3O4/c1-36-23(34)21-5-3-2-4-20(21)17-8-6-16(7-9-17)13-31-24(35)25(10-11-25)32-22(33)18-12-19(15-30-14-18)26(27,28)29/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182460
PNG
(CHEMBL201041 | methyl 4'-[({[1-({[5-(trifluorometh...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N3O4/c1-36-23(34)21-5-3-2-4-20(21)17-8-6-16(7-9-17)13-31-24(35)25(10-11-25)32-22(33)18-12-19(15-30-14-18)26(27,28)29/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,35)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair