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BDBM50000398 3-Acetoxy-1-(2-dimethylamino-ethyl)-4-(4-methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-6-carboxylic acid benzyl ester::CHEMBL164917

SMILES: COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(=O)OCc2ccccc2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=MGDJOKNDZYQISS-LITSAYRRSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000398   
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
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50000398
PNG
(3-Acetoxy-1-(2-dimethylamino-ethyl)-4-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(=O)OCc2ccccc2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C31H34N2O6/c1-21(34)39-29-26(23-13-15-24(37-4)16-14-23)19-27-25(31(36)38-20-22-9-6-5-7-10-22)11-8-12-28(27)33(30(29)35)18-17-32(2)3/h5-16,26,29H,17-20H2,1-4H3/t26-,29+/m0/s1
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Similars

Article
PubMed
n/an/an/a 1.40E+3n/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