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BDBM50286380 2-(N',N''-Diisopropyl-guanidino)-3-naphthalen-2-yl-N-[4-(tributyl-lambda*5*-phosphanylmethyl)-phenyl]-propionamide; chloride::CHEMBL540895

SMILES: [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])-[#6])cc1

InChI Key: InChIKey=CJUJGSVHEABMSQ-QNGWXLTQSA-O

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 = 50286380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BDKRB2


(Homo sapiens (Human))
BDBM50286380
PNG
(2-(N',N''-Diisopropyl-guanidino)-3-naphthalen-2-yl...)
Show SMILES CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC(C)C)NC(C)C)cc1
Show InChI InChI=1S/C39H59N4OP/c1-8-11-24-45(25-12-9-2,26-13-10-3)29-32-19-22-36(23-20-32)42-38(44)37(43-39(40-30(4)5)41-31(6)7)28-33-18-21-34-16-14-15-17-35(34)27-33/h14-23,27,30-31,37H,8-13,24-26,28-29H2,1-7H3,(H2-,40,41,42,43,44)/p+1/t37-/m0/s1
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Similars

Article
7.05E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2


Bioorg Med Chem Lett 5: 357-362 (1995)


Article DOI: 10.1016/0960-894X(95)00035-R
BindingDB Entry DOI: 10.7270/Q2S75GTM
More data for this
Ligand-Target Pair