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BDBM50079460 4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazol-4-yl}-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL539426

SMILES: CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C

InChI Key: InChIKey=KEUVWEPOTITQOY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50079460   
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
Calcium channel


(RAT)
BDBM50079460
PNG
(4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazo...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:39,t:36|
Show InChI InChI=1S/C31H34N2O6/c1-6-37-30(34)25-19(3)32-20(4)26(31(35)38-7-2)28(25)27-24(17-16-21-12-11-15-23(18-21)36-5)39-33-29(27)22-13-9-8-10-14-22/h8-15,18,25,28H,6-7,16-17H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50079460
PNG
(4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazo...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:39,t:36|
Show InChI InChI=1S/C31H34N2O6/c1-6-37-30(34)25-19(3)32-20(4)26(31(35)38-7-2)28(25)27-24(17-16-21-12-11-15-23(18-21)36-5)39-33-29(27)22-13-9-8-10-14-22/h8-15,18,25,28H,6-7,16-17H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
More data for this
Ligand-Target Pair