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BDBM50192662 CHEMBL3969496

SMILES: COCCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=PWUMRLWMPRUWGH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192662   
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-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192662
PNG
(CHEMBL3969496)
Show SMILES COCCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C27H28FN3O4/c1-34-17-18-35-24-13-7-21(8-14-24)27(15-16-32)19-25(20-5-3-2-4-6-20)30-31(27)26(33)29-23-11-9-22(28)10-12-23/h2-14,32H,15-19H2,1H3,(H,29,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50192662
PNG
(CHEMBL3969496)
Show SMILES COCCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C27H28FN3O4/c1-34-17-18-35-24-13-7-21(8-14-24)27(15-16-32)19-25(20-5-3-2-4-6-20)30-31(27)26(33)29-23-11-9-22(28)10-12-23/h2-14,32H,15-19H2,1H3,(H,29,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair