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BDBM50461289 MK-6721::NMED-160::NP-118809::Z-160::Z160

SMILES: O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VCPMZDWBEWTGNW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50461289   
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))
BDBM50461289
PNG
(MK-6721 | NMED-160 | NP-118809 | Z-160 | Z160)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
UniProtKB/SwissProt

antibodypedia
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UniChem
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PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cav3.2-alpha1 expressed in HEK293T cells assessed as decrease in KCl-induced calcium mobilization measured after 600 ...


Bioorg Med Chem 26: 3046-3059 (2018)


Article DOI: 10.1016/j.bmc.2018.03.031
BindingDB Entry DOI: 10.7270/Q2BC4253
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3


(Homo sapiens (Human))
BDBM50461289
PNG
(MK-6721 | NMED-160 | NP-118809 | Z-160 | Z160)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
PDB

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n/an/a 3.90E+4n/an/an/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 in human SH-SY5Y cells assessed as decrease in KCl-induced calcium mobilization measured after 600 secs post compound addition a...


Bioorg Med Chem 26: 3046-3059 (2018)


Article DOI: 10.1016/j.bmc.2018.03.031
BindingDB Entry DOI: 10.7270/Q2BC4253
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit beta-1


(Homo sapiens)
BDBM50461289
PNG
(MK-6721 | NMED-160 | NP-118809 | Z-160 | Z160)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
PDB

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n/an/a 110n/an/an/an/an/an/a



Neuromed Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N type calcium channel alpha-1b/alpha-2-delta-1/beta-1b expressed in HEK293 cells at holding potential of -100 mV by whole-cell patch c...


Bioorg Med Chem Lett 20: 1378-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.008
BindingDB Entry DOI: 10.7270/Q2DJ5JDR
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b


(Homo sapiens (Human))
BDBM50461289
PNG
(MK-6721 | NMED-160 | NP-118809 | Z-160 | Z160)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
PDB

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n/an/a 1.22E+4n/an/an/an/an/an/a



Neuromed Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of L type calcium channel alpha-1c/alpha-2-delta-1/beta-1b expressed in HEK293 cells in presence of -100 mV holding potential by whole-cel...


Bioorg Med Chem Lett 20: 1378-83 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.008
BindingDB Entry DOI: 10.7270/Q2DJ5JDR
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50461289
PNG
(MK-6721 | NMED-160 | NP-118809 | Z-160 | Z160)
Show SMILES O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
PDB

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MCE
PC cid
PC sid
UniChem
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PubMed
n/an/a 110n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Blocking of rat N-type calcium channel alpha-1B/alpha-2-delta-1/beta-1b activity expressed in HEK293 cells assessed as whole cell current by whole ce...


Bioorg Med Chem Lett 19: 6467-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.008
BindingDB Entry DOI: 10.7270/Q2PV6P57
More data for this
Ligand-Target Pair