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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'cardoso' and Initial = 'fc'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50461301
PNG
(CHEMBL4227475)
Show SMILES Cl.Cl.CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 |r|
Show InChI InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
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n/an/a 2.00E+3n/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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561000
PNG
(CHEMBL1551597)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461301
PNG
(CHEMBL4227475)
Show SMILES Cl.Cl.CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1 |r|
Show InChI InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
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n/an/a 7.00E+3n/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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561000
PNG
(CHEMBL1551597)
Show SMILES CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM112774
PNG
(US8629135, SW-01)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:14|
Show InChI InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50101973
PNG
(BA-34276 [As Hydrochloride] | CHEBI:6690 | Maproti...)
Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21 |(1.87,1.24,;2.81,.7,;3.75,1.24,;3.75,2.33,;4.7,2.88,;4.7,3.96,;5.24,4.91,;5.24,6.1,;4.7,7.04,;3.36,6.27,;2.03,7.05,;.7,6.28,;.7,4.74,;2.03,3.97,;3.36,4.73,;6.03,6.27,;7.37,7.04,;8.7,6.27,;8.7,4.73,;7.37,3.96,;6.03,4.73,)|
Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50240410
PNG
(10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]aze...)
Show SMILES CC(CN(C)C)CN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50176062
PNG
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)
Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM112780
PNG
(US8629135, SW-07)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561005
PNG
(CHEMBL4741422)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccccc1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 2.20E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50170636
PNG
(2-[4-(3-Dibenzo[b,f]azepin-5-yl-propyl)-piperazin-...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
Show InChI InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50101813
PNG
(CHEBI:31399 | Cilnidipine)
Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12|
Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50101813
PNG
(CHEBI:31399 | Cilnidipine)
Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12|
Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50101813
PNG
(CHEBI:31399 | Cilnidipine)
Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12|
Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM22870
PNG
(13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[...)
Show SMILES Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Show InChI InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
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n/an/a 2.70E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00331c
BindingDB Entry DOI: 10.7270/Q2R78K6M
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561001
PNG
(CHEMBL4800369)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccccc1-[#8]-c1ccc(F)cc1
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TBA

Assay Description
Inhibition of human Cav2.2 expressed in HEK293 cells by whole cell patch clamp electrophysiology method


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561010
PNG
(CHEMBL4794579)
Show SMILES O=C(N1c2ccccc2Oc2ccccc12)c1ccc(OCCCN2CCCC2)cc1
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n/an/a 3.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(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
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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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461288
PNG
(CHEMBL4226804)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4ccc(F)cc4)cc3s2)cc1
Show InChI InChI=1S/C25H26FN3O2S/c1-29(2)14-3-15-30-20-8-4-18(5-9-20)17-27-25-28-23-13-12-22(16-24(23)32-25)31-21-10-6-19(26)7-11-21/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,28)
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n/an/a 4.00E+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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561002
PNG
(CHEMBL4759180)
Show SMILES [#8]-[#6](=O)C(F)(F)F.[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccccc1-[#8]-c1ccccc1
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TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461290
PNG
(CHEMBL4229218)
Show SMILES OC(=O)C(F)(F)F.NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(cc4)C#N)cc3s2)cc1
Show InChI InChI=1S/C24H22N4O2S/c25-12-1-13-29-19-6-4-18(5-7-19)16-27-24-28-22-11-10-21(14-23(22)31-24)30-20-8-2-17(15-26)3-9-20/h2-11,14H,1,12-13,16,25H2,(H,27,28)
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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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50461297
PNG
(CHEMBL4226823)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4ccc(cc4)C#N)cc3s2)cc1
Show InChI InChI=1S/C26H26N4O2S/c1-30(2)14-3-15-31-21-8-6-20(7-9-21)18-28-26-29-24-13-12-23(16-25(24)33-26)32-22-10-4-19(17-27)5-11-22/h4-13,16H,3,14-15,18H2,1-2H3,(H,28,29)
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n/an/a 4.10E+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


(Homo sapiens (Human))
BDBM50561007
PNG
(CHEMBL4742798)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
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TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
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
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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


(Homo sapiens (Human))
BDBM50461292
PNG
(CHEMBL4226674)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(cc4)C(F)(F)F)cc3s2)cc1
Show InChI InChI=1S/C27H28F3N3O2S/c1-32(2)15-4-16-34-21-9-5-19(6-10-21)18-33(3)26-31-24-14-13-23(17-25(24)36-26)35-22-11-7-20(8-12-22)27(28,29)30/h5-14,17H,4,15-16,18H2,1-3H3
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n/an/a 4.60E+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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561005
PNG
(CHEMBL4741422)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccccc1
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TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461282
PNG
(CHEMBL4225603)
Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C24H25N3O2S/c1-27(17-18-8-10-19(11-9-18)28-15-5-14-25)24-26-22-13-12-21(16-23(22)30-24)29-20-6-3-2-4-7-20/h2-4,6-13,16H,5,14-15,17,25H2,1H3
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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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561010
PNG
(CHEMBL4794579)
Show SMILES O=C(N1c2ccccc2Oc2ccccc12)c1ccc(OCCCN2CCCC2)cc1
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TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461296
PNG
(CHEMBL4227653)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CNc2nc3ccc(Oc4cccc(c4)C(F)(F)F)cc3s2)cc1
Show InChI InChI=1S/C26H26F3N3O2S/c1-32(2)13-4-14-33-20-9-7-18(8-10-20)17-30-25-31-23-12-11-22(16-24(23)35-25)34-21-6-3-5-19(15-21)26(27,28)29/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H,30,31)
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n/an/a 5.10E+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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50461292
PNG
(CHEMBL4226674)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(cc4)C(F)(F)F)cc3s2)cc1
Show InChI InChI=1S/C27H28F3N3O2S/c1-32(2)15-4-16-34-21-9-5-19(6-10-21)18-33(3)26-31-24-14-13-23(17-25(24)36-26)35-22-11-7-20(8-12-22)27(28,29)30/h5-14,17H,4,15-16,18H2,1-3H3
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n/an/a 5.40E+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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561004
PNG
(CHEMBL4740547)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccc(F)cc1
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n/an/a 5.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561007
PNG
(CHEMBL4742798)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
PDB

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n/an/a 5.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561006
PNG
(CHEMBL4764424)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1c(C)cccc1C
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n/an/a 5.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461278
PNG
(CHEMBL4227740)
Show SMILES OC(=O)C(F)(F)F.NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(cc4)C(F)(F)F)cc3s2)cc1
Show InChI InChI=1S/C24H22F3N3O2S/c25-24(26,27)17-4-8-19(9-5-17)32-20-10-11-21-22(14-20)33-23(30-21)29-15-16-2-6-18(7-3-16)31-13-1-12-28/h2-11,14H,1,12-13,15,28H2,(H,29,30)
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n/an/a 5.90E+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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561006
PNG
(CHEMBL4764424)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1c(C)cccc1C
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n/an/a 6.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50461276
PNG
(CHEMBL4227450)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(cc4)C#N)cc3s2)cc1
Show InChI InChI=1S/C27H28N4O2S/c1-30(2)15-4-16-32-22-9-7-21(8-10-22)19-31(3)27-29-25-14-13-24(17-26(25)34-27)33-23-11-5-20(18-28)6-12-23/h5-14,17H,4,15-16,19H2,1-3H3
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n/an/a 6.40E+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


(Homo sapiens (Human))
BDBM50461284
PNG
(CHEMBL4226597)
Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(cc3)C#N)cc2s1
Show InChI InChI=1S/C25H24N4O2S/c1-29(17-19-5-7-20(8-6-19)30-14-2-13-26)25-28-23-12-11-22(15-24(23)32-25)31-21-9-3-18(16-27)4-10-21/h3-12,15H,2,13-14,17,26H2,1H3
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n/an/a 6.50E+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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461276
PNG
(CHEMBL4227450)
Show SMILES OC(=O)C(F)(F)F.CN(C)CCCOc1ccc(CN(C)c2nc3ccc(Oc4ccc(cc4)C#N)cc3s2)cc1
Show InChI InChI=1S/C27H28N4O2S/c1-30(2)15-4-16-32-22-9-7-21(8-10-22)19-31(3)27-29-25-14-13-24(17-26(25)34-27)33-23-11-5-20(18-28)6-12-23/h5-14,17H,4,15-16,19H2,1-3H3
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n/an/a 6.90E+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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50461283
PNG
(CHEMBL4225757)
Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2s1
Show InChI InChI=1S/C25H24F3N3O2S/c1-31(16-17-6-8-19(9-7-17)32-13-3-12-29)24-30-22-11-10-21(15-23(22)34-24)33-20-5-2-4-18(14-20)25(26,27)28/h2,4-11,14-15H,3,12-13,16,29H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561009
PNG
(CHEMBL4781385)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:24|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561014
PNG
(CHEMBL4794057)
Show SMILES O=C(N1c2ccccc2CCc2ccccc12)c1ccc(OCCCN2CCOCC2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50561014
PNG
(CHEMBL4794057)
Show SMILES O=C(N1c2ccccc2CCc2ccccc12)c1ccc(OCCCN2CCOCC2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50561008
PNG
(CHEMBL4791782)
Show SMILES CN(C)CCCOc1ccc(cc1)C(=O)N1c2ccccc2CCc2ccccc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115655
BindingDB Entry DOI: 10.7270/Q25B066S
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50461282
PNG
(CHEMBL4225603)
Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C24H25N3O2S/c1-27(17-18-8-10-19(11-9-18)28-15-5-14-25)24-26-22-13-12-21(16-23(22)30-24)29-20-6-3-2-4-7-20/h2-4,6-13,16H,5,14-15,17,25H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.50E+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
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