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BDBM50202408 CHEMBL373803::methyl 3,3'-difluoro-4'-{(1R)-1-[({1-[(2,2,3,3-tetrafluoropropanoyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1'-biphenyl-2-carboxylate

SMILES: COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1

InChI Key: InChIKey=SKFSBVUDHVCHTK-LLVKDONJSA-N

Data: 2 KI

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 = 50202408   
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))
BDBM50202408
PNG
(CHEMBL373803 | methyl 3,3'-difluoro-4'-{(1R)-1-[({...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C23H19F7N2O4/c1-11(31-19(34)21(8-9-21)32-20(35)22(26,27)23(28,29)30)13-7-6-12(10-16(13)25)14-4-3-5-15(24)17(14)18(33)36-2/h3-7,10-11H,8-9H2,1-2H3,(H,31,34)(H,32,35)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50202408
PNG
(CHEMBL373803 | methyl 3,3'-difluoro-4'-{(1R)-1-[({...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C23H19F7N2O4/c1-11(31-19(34)21(8-9-21)32-20(35)22(26,27)23(28,29)30)13-7-6-12(10-16(13)25)14-4-3-5-15(24)17(14)18(33)36-2/h3-7,10-11H,8-9H2,1-2H3,(H,31,34)(H,32,35)/t11-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair