BindingDB logo
myBDB logout

BDBM50045221 tributyl{4-[({[(E)-(cyclohexylamino)(cyclohexyliminio)methyl]amino}acetyl)amino]benzyl}phosphonium; Chloride; hydrochloride

SMILES: CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N\C(NC2CCCCC2)=[NH+]\C2CCCCC2)cc1

InChI Key: InChIKey=ACSOUKQYPFMWHH-BHVANESWSA-P

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045221   
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
BDKRB2


(Homo sapiens (Human))		BDBM50045221
PNG
(tributyl{4-[({[(E)-(cyclohexylamino)(cyclohexylimi...)
Show SMILES CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N\C(NC2CCCCC2)=[NH+]\C2CCCCC2)cc1
Show InChI InChI=1S/C38H67N4OP/c1-6-9-26-44(27-10-7-2,28-11-8-3)30-32-22-24-35(25-23-32)39-37(43)36(29-31(4)5)42-38(40-33-18-14-12-15-19-33)41-34-20-16-13-17-21-34/h22-25,31,33-34,36H,6-21,26-30H2,1-5H3,(H2-,39,40,41,42,43)/p+2/t36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
Binding affinity against human bradykinin receptor B2 using [3H]bradykinin as radioligand

J Med Chem 36: 2583-4 (1993)


BindingDB Entry DOI: 10.7270/Q20002QV
More data for this
Ligand-Target Pair