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BDBM50212102 CHEMBL392551::methyl 2-chloro-6-(5-fluoro-6-((R)-1-(1-(2,2,2-trifluoroacetamido)cyclopropanecarboxamido)ethyl)pyridin-3-yl)benzoate

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

InChI Key: InChIKey=OEBNCXMFEGYDGE-SNVBAGLBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212102   
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))		BDBM50212102
PNG
(CHEMBL392551 | methyl 2-chloro-6-(5-fluoro-6-((R)-...)
Show SMILES COC(=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/C21H18ClF4N3O4/c1-10(28-18(31)20(6-7-20)29-19(32)21(24,25)26)16-14(23)8-11(9-27-16)12-4-3-5-13(22)15(12)17(30)33-2/h3-5,8-10H,6-7H2,1-2H3,(H,28,31)(H,29,32)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.770n/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