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BDBM50322938 2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide::CHEMBL1210565

SMILES: Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1

InChI Key: InChIKey=IWYVKGJZWVPVBK-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 = 50322938   
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))
BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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))
BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/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))
BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 176n/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