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BDBM50192734 CHEMBL3947301

SMILES: OCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=TWFRJVDERSSRTP-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 = 50192734   
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 calcium channel


(Homo sapiens (Human))
BDBM50192734
PNG
(CHEMBL3947301)
Show SMILES OCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.65E+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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192734
PNG
(CHEMBL3947301)
Show SMILES OCC1(CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 70n/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