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BDBM50322937 2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)-1-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide::CHEMBL1210564

SMILES: Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1

InChI Key: InChIKey=KRDJNRGBYOKCJA-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50322937   
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))
BDBM50322937
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322937
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by whole cell path clamp method


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322937
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CN(C3c3ccccn3)c3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C25H22ClF3N4O/c26-20-14-19(4-5-21(20)29)33-15-25(23(33)22-3-1-2-8-30-22)6-9-32(10-7-25)24(34)31-18-12-16(27)11-17(28)13-18/h1-5,8,11-14,23H,6-7,9-10,15H2,(H,31,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 291n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair