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SMILES: C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C(F)(F)F

InChI Key: InChIKey=QKZDJLVLJDLOGQ-CYBMUJFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157517   
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))		BDBM50157517
PNG
(CHEMBL225006 | N-{4-chloro-2-[(R)-1-(3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C23H17ClF4N4O/c1-13(31-22-21(17(24)10-12-30-22)32-19(33)9-11-29)14-5-7-15(8-6-14)16-3-2-4-18(25)20(16)23(26,27)28/h2-8,10,12-13H,9H2,1H3,(H,30,31)(H,32,33)/t13-/m1/s1
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Similars
Article
PubMed
 1.10n/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 expresed in CHO cells

J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair