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BDBM50210359 CHEMBL234720::N-(2-((4-cyano-4-(2,3-dichlorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

SMILES: FC(F)(F)CC(=O)Nc1cccnc1NCC1CCC(CC1)(C#N)c1cccc(Cl)c1Cl

InChI Key: InChIKey=FLQZKOMYPKRVQB-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210359   
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))
BDBM50210359
PNG
(CHEMBL234720 | N-(2-((4-cyano-4-(2,3-dichloropheny...)
Show SMILES FC(F)(F)CC(=O)Nc1cccnc1NCC1CCC(CC1)(C#N)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H21Cl2F3N4O/c23-16-4-1-3-15(19(16)24)21(13-28)8-6-14(7-9-21)12-30-20-17(5-2-10-29-20)31-18(32)11-22(25,26)27/h1-5,10,14H,6-9,11-12H2,(H,29,30)(H,31,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity at human bradykinin B1 receptor


Bioorg Med Chem Lett 17: 3006-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.059
BindingDB Entry DOI: 10.7270/Q29C6X4F
More data for this
Ligand-Target Pair