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BDBM50212104 CHEMBL232945::ethyl 2-chloro-6-(5-fluoro-6-((R)-1-(1-(2,2,2-trifluoroacetamido)cyclopropanecarboxamido)ethyl)pyridin-3-yl)benzoate

SMILES: CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1

InChI Key: InChIKey=MHDZUPQTJWSBJV-LLVKDONJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212104   
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))		BDBM50212104
PNG
(CHEMBL232945 | ethyl 2-chloro-6-(5-fluoro-6-((R)-1...)
Show SMILES CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H20ClF4N3O4/c1-3-34-18(31)16-13(5-4-6-14(16)23)12-9-15(24)17(28-10-12)11(2)29-19(32)21(7-8-21)30-20(33)22(25,26)27/h4-6,9-11H,3,7-8H2,1-2H3,(H,29,32)(H,30,33)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity to human BK1 receptor

Bioorg Med Chem Lett 17: 3608-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K
More data for this
Ligand-Target Pair