BindingDB logo
myBDB logout

BDBM50308998 CHEMBL602555::N-((R)-1-(5-((2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl)-3-fluoropyridin-2-yl)ethyl)-2-(3-fluoro-5-(trifluoromethyl)benzoyl)-1-methylhydrazinecarboxamide

SMILES: C[C@@H](NC(=O)N(C)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C

InChI Key: InChIKey=LUDXAYDGIBSZDR-HZSPNIEDSA-N

Data: 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 1 hit for monomerid = 50308998   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50308998
PNG
(CHEMBL602555 | N-((R)-1-(5-((2R,5S)-2,5-dimethylpy...)
Show SMILES C[C@@H](NC(=O)N(C)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C
Show InChI InChI=1S/C24H26F5N5O3/c1-12-5-6-13(2)34(12)22(36)16-9-19(26)20(30-11-16)14(3)31-23(37)33(4)32-21(35)15-7-17(24(27,28)29)10-18(25)8-15/h7-14H,5-6H2,1-4H3,(H,31,37)(H,32,35)/t12-,13+,14-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization


Bioorg Med Chem Lett 20: 1225-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.119
BindingDB Entry DOI: 10.7270/Q27P8ZH1
More data for this
Ligand-Target Pair