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BDBM50411233 CHEMBL2096845

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

InChI Key: InChIKey=DJQUIJAELZJTLQ-LBPRGKRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411233   
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))		BDBM50411233
PNG
(CHEMBL2096845)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@H](C)NC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C23H21F5N2O4/c1-12(29-21(33)22(8-9-22)30-18(31)11-23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)19(15)20(32)34-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,29,33)(H,30,31)/t12-/m0/s1
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Similars
Article
PubMed
 22n/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