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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-gated L-type calcium channel' and Ligand = 'BDBM50000366'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50000366
PNG
(Acetic acid 1-(2-amino-ethyl)-4-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C22H23F3N2O4/c1-13(28)31-20-16(14-6-8-15(30-2)9-7-14)12-17-18(22(23,24)25)4-3-5-19(17)27(11-10-26)21(20)29/h3-9,16,20H,10-12,26H2,1-2H3/t16-,20+/m0/s1
PDB
MMDB

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Patents


Similars

Article
PubMed
n/an/an/a 120n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.


J Med Chem 35: 780-93 (1992)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair