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BDBM50079463 4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-4-yl}-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester::CHEMBL325811

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

InChI Key: InChIKey=BSKFQEAWNKUYTN-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 = 50079463   
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)
BDBM50079463
PNG
(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60n/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))
BDBM50079463
PNG
(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.90n/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