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BDBM50371651 CHEMBL410281

SMILES: C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(Cl)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F

InChI Key: InChIKey=FWGPDHJBQADSPP-SNVBAGLBSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371651   
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))
BDBM50371651
PNG
(CHEMBL410281)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(Cl)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C23H18Cl3F3N4O4/c1-10(31-22(35)23(2-3-23)32-21(34)16-7-17(26)33-37-16)19-15(27)4-11(8-30-19)13-5-12(24)6-14(25)20(13)36-9-18(28)29/h4-8,10,18H,2-3,9H2,1H3,(H,31,35)(H,32,34)/t10-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.200n/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