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BDBM50202410 CHEMBL218552::methyl 4'-({[(1-{[chloro(fluoro)acetyl]amino}cyclopropyl)-carbonyl]amino}methyl)-3,3'-difluoro-1,1'-biphenyl-2-carboxylate

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)Cl)c(F)c1

InChI Key: InChIKey=LDTYTPPYJNRGKI-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 = 50202410   
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))
BDBM50202410
PNG
(CHEMBL218552 | methyl 4'-({[(1-{[chloro(fluoro)ace...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)Cl)c(F)c1
Show InChI InChI=1S/C21H18ClF3N2O4/c1-31-19(29)16-13(3-2-4-14(16)23)11-5-6-12(15(24)9-11)10-26-20(30)21(7-8-21)27-18(28)17(22)25/h2-6,9,17H,7-8,10H2,1H3,(H,26,30)(H,27,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/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
BDKRB2


(Homo sapiens (Human))
BDBM50202410
PNG
(CHEMBL218552 | methyl 4'-({[(1-{[chloro(fluoro)ace...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)Cl)c(F)c1
Show InChI InChI=1S/C21H18ClF3N2O4/c1-31-19(29)16-13(3-2-4-14(16)23)11-5-6-12(15(24)9-11)10-26-20(30)21(7-8-21)27-18(28)17(22)25/h2-6,9,17H,7-8,10H2,1H3,(H,26,30)(H,27,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human bradykinin B2 receptor


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