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BDBM50260600 CHEMBL495235::N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE::N-(3,3-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine

SMILES: CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VSFIKHFVWBEFKU-MUUNZHRXSA-N

Data: 1 Kd

PDB links: 2 PDB IDs match this monomer.

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 = 50260600   
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
Calmodulin


(Homo sapiens)
BDBM50260600
PNG
(CHEMBL495235 | N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 ...)
Show SMILES CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H48N2O2/c1-4-6-25-37-33-20-19-31(27-34(33)38-26-7-5-2)28(3)36-23-14-22-35-24-21-32(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-20,27-28,32,35-36H,4-7,14,21-26H2,1-3H3/t28-/m1/s1
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PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 18n/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Binding affinity to calmodulin (unknown origin)


J Med Chem 51: 3081-93 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)