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BDBM50371654 CHEMBL403434

SMILES: C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(on1)C1CC1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F

InChI Key: InChIKey=TUIWHXCJRKRVNE-GFCCVEGCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371654   
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))		BDBM50371654
PNG
(CHEMBL403434)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(on1)C1CC1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C26H23Cl2F3N4O4/c1-12(33-25(37)26(4-5-26)34-24(36)19-9-20(39-35-19)13-2-3-13)22-18(29)6-14(10-32-22)16-7-15(27)8-17(28)23(16)38-11-21(30)31/h6-10,12-13,21H,2-5,11H2,1H3,(H,33,37)(H,34,36)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS

Bioorg Med Chem Lett 18: 682-7 (2008)


BindingDB Entry DOI: 10.7270/Q29024NB
More data for this
Ligand-Target Pair