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BDBM50289778 (S)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-guanidinomethyl-phenyl)-3-naphthalen-2-yl-propionamide::CHEMBL293804

SMILES: [#7]-[#6](=[#7])-[#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1

InChI Key: InChIKey=VBUIWYPUKKMBDJ-HKBQPEDESA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289778   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50289778
PNG
((S)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-guanidi...)
Show SMILES NC(=N)NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
Show InChI InChI=1S/C34H45N7O/c35-33(36)37-23-24-16-19-30(20-17-24)38-32(42)31(22-25-15-18-26-9-7-8-10-27(26)21-25)41-34(39-28-11-3-1-4-12-28)40-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23H2,(H,38,42)(H4,35,36,37)(H2,39,40,41)/t31-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
n/an/an/a 1.10E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1, activity expressed as Kd


Bioorg Med Chem Lett 7: 1921-1926 (1997)


Article DOI: 10.1016/S0960-894X(97)00328-4
BindingDB Entry DOI: 10.7270/Q2XG9R44
More data for this
Ligand-Target Pair