BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 295 hits of ic50 for UniProtKB: Q9P0X4   
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-1I


(Homo sapiens (Human))		BDBM50452305
PNG
(CHEMBL4203847)
Show SMILES Cn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc12
Show InChI InChI=1S/C20H17F2N5O/c1-26-18-5-3-13(8-15(18)11-23-26)10-20(28)24-19-6-7-27(25-19)12-14-2-4-16(21)17(22)9-14/h2-9,11H,10,12H2,1H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452243
PNG
(CHEMBL4205005)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
Show InChI InChI=1S/C20H20F2N4O/c1-25(2)16-6-3-14(4-7-16)12-20(27)23-19-9-10-26(24-19)13-15-5-8-17(21)18(22)11-15/h3-11H,12-13H2,1-2H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.890n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452246
PNG
(CHEMBL4216687)
Show SMILES COc1c(F)cc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1F
Show InChI InChI=1S/C21H22F2N4O2/c1-26(2)16-6-4-14(5-7-16)12-20(28)24-19-8-9-27(25-19)13-15-10-17(22)21(29-3)18(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452236
PNG
(CHEMBL4204507)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1
Show InChI InChI=1S/C21H21F3N4O2/c1-27(2)17-7-3-15(4-8-17)13-20(29)25-19-11-12-28(26-19)14-16-5-9-18(10-6-16)30-21(22,23)24/h3-12H,13-14H2,1-2H3,(H,25,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452301
PNG
(CHEMBL4204077)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C20H21ClN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452289
PNG
(CHEMBL4215974)
Show SMILES CC1(COC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-22(13-29-14-22)17-5-2-15(3-6-17)11-21(28)25-20-8-9-27(26-20)12-16-4-7-18(23)19(24)10-16/h2-10H,11-14H2,1H3,(H,25,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452288
PNG
(CHEMBL4208626)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3(F)COC3)n2)cc1F
Show InChI InChI=1S/C21H18F3N3O2/c22-17-6-3-15(9-18(17)23)11-27-8-7-19(26-27)25-20(28)10-14-1-4-16(5-2-14)21(24)12-29-13-21/h1-9H,10-13H2,(H,25,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM372452
PNG
(N-[2-(3,4-Difluoro-benzyl)-2H-[1,2,3]triazol-4-yl]...)
Show SMILES Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc12
Show InChI InChI=1S/C19H16F2N6O/c1-26-17-5-3-12(6-14(17)9-22-26)8-19(28)24-18-10-23-27(25-18)11-13-2-4-15(20)16(21)7-13/h2-7,9-10H,8,11H2,1H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...

J Med Chem 59: 8398-411 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00756
BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CaV 3.3 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452257
PNG
(CHEMBL4205399)
Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1
Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452229
PNG
(CHEMBL4209376)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cc1
Show InChI InChI=1S/C21H22F2N4O2/c1-26(2)17-7-3-15(4-8-17)13-20(28)24-19-11-12-27(25-19)14-16-5-9-18(10-6-16)29-21(22)23/h3-12,21H,13-14H2,1-2H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452257
PNG
(CHEMBL4205399)
Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1
Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452258
PNG
(CHEMBL4208907)
Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452225
PNG
(CHEMBL4203748)
Show SMILES CC1(C)OCC(O1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
Show InChI InChI=1S/C23H23F2N3O3/c1-23(2)30-14-20(31-23)17-6-3-15(4-7-17)12-22(29)26-21-9-10-28(27-21)13-16-5-8-18(24)19(25)11-16/h3-11,20H,12-14H2,1-2H3,(H,26,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452269
PNG
(CHEMBL4213335)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C21H24N4O/c1-16-4-6-18(7-5-16)15-25-13-12-20(23-25)22-21(26)14-17-8-10-19(11-9-17)24(2)3/h4-13H,14-15H2,1-3H3,(H,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452234
PNG
(CHEMBL4218161)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)c(F)c3)n2)cc1
Show InChI InChI=1S/C21H20FN5O/c1-26(2)18-7-4-15(5-8-18)12-21(28)24-20-9-10-27(25-20)14-16-3-6-17(13-23)19(22)11-16/h3-11H,12,14H2,1-2H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452242
PNG
(CHEMBL4206509)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F
Show InChI InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452233
PNG
(CHEMBL4203101)
Show SMILES CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc12
Show InChI InChI=1S/C23H22F2N4O2/c1-23(2)16-10-14(5-7-19(16)28(3)22(23)31)12-21(30)26-20-8-9-29(27-20)13-15-4-6-17(24)18(25)11-15/h4-11H,12-13H2,1-3H3,(H,26,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452294
PNG
(CHEMBL4207031)
Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
Show InChI InChI=1S/C21H21F2N3O/c1-14(2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452256
PNG
(CHEMBL4212039)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4cc[nH]c4c3)n2)cc1F
Show InChI InChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452325
PNG
(CHEMBL4208950)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C20H21FN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452280
PNG
(CHEMBL4212176)
Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OC(F)(F)F
Show InChI InChI=1S/C20H16F3N5O2/c1-13-8-14(3-5-17(13)30-20(21,22)23)9-19(29)26-18-6-7-28(27-18)12-16-4-2-15(10-24)11-25-16/h2-8,11H,9,12H2,1H3,(H,26,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452290
PNG
(CHEMBL4207159)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc4[nH]ccc4c3)n2)cc1F
Show InChI InChI=1S/C20H16F2N4O/c21-16-3-1-14(10-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-2-4-18-15(9-13)5-7-23-18/h1-10,23H,11-12H2,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452323
PNG
(CHEMBL4214862)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(nc3)N3CCC(F)(F)C3)n2)cc1F
Show InChI InChI=1S/C21H19F4N5O/c22-16-3-1-15(9-17(16)23)12-30-7-5-18(28-30)27-20(31)10-14-2-4-19(26-11-14)29-8-6-21(24,25)13-29/h1-5,7,9,11H,6,8,10,12-13H2,(H,27,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452303
PNG
(CHEMBL4218608)
Show SMILES CC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)18-7-4-16(5-8-18)12-21(28)25-20-10-11-27(26-20)15-19-9-6-17(13-23)14-24-19/h4-11,14H,12,15H2,1-3H3,(H,25,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452274
PNG
(CHEMBL4208413)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1
Show InChI InChI=1S/C21H24N4O/c1-16-5-4-6-18(13-16)15-25-12-11-20(23-25)22-21(26)14-17-7-9-19(10-8-17)24(2)3/h4-13H,14-15H2,1-3H3,(H,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452291
PNG
(CHEMBL4207979)
Show SMILES Cn1c2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2oc1=O
Show InChI InChI=1S/C20H16F2N4O3/c1-25-16-5-3-12(9-17(16)29-20(25)28)10-19(27)23-18-6-7-26(24-18)11-13-2-4-14(21)15(22)8-13/h2-9H,10-11H2,1H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452244
PNG
(CHEMBL4217227)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
Show InChI InChI=1S/C20H22N4O/c1-23(2)18-10-8-16(9-11-18)14-20(25)21-19-12-13-24(22-19)15-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,21,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452238
PNG
(CHEMBL4207291)
Show SMILES CCc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F
Show InChI InChI=1S/C22H20F3N5O2/c1-2-17-9-15(4-6-19(17)32-14-22(23,24)25)10-21(31)28-20-7-8-30(29-20)13-18-5-3-16(11-26)12-27-18/h3-9,12H,2,10,13-14H2,1H3,(H,28,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452312
PNG
(CHEMBL4204295)
Show SMILES Cn1ccc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cnc12
Show InChI InChI=1S/C20H17F2N5O/c1-26-6-4-15-8-14(11-23-20(15)26)10-19(28)24-18-5-7-27(25-18)12-13-2-3-16(21)17(22)9-13/h2-9,11H,10,12H2,1H3,(H,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452324
PNG
(CHEMBL4210292)
Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CCOCC(F)(F)F)n2)cc1
Show InChI InChI=1S/C18H22F3N3O2/c1-13(2)15-5-3-14(4-6-15)11-17(25)22-16-7-8-24(23-16)9-10-26-12-18(19,20)21/h3-8,13H,9-12H2,1-2H3,(H,22,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452222
PNG
(CHEMBL4216279)
Show SMILES COc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1
Show InChI InChI=1S/C24H27N3O5/c1-16(23(30)27-14-8-13-20(27)24(31)32)25-22(29)19(15-17-9-4-2-5-10-17)26-21(28)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,19+,20+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452300
PNG
(CHEMBL4204611)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C21H21N5O/c1-25(2)19-9-7-16(8-10-19)13-21(27)23-20-11-12-26(24-20)15-18-5-3-17(14-22)4-6-18/h3-12H,13,15H2,1-2H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452326
PNG
(CHEMBL4204873)
Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(OC4COC4)cc3)n2)cc1F
Show InChI InChI=1S/C21H19F2N3O3/c22-18-6-3-15(9-19(18)23)11-26-8-7-20(25-26)24-21(27)10-14-1-4-16(5-2-14)29-17-12-28-13-17/h1-9,17H,10-13H2,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50338167
PNG
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)
Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r|
Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 21: 1692-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452311
PNG
(CHEMBL4211393)
Show SMILES CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
Show InChI InChI=1S/C19H19F2N5O/c1-25(2)18-6-4-13(11-22-18)10-19(27)23-17-7-8-26(24-17)12-14-3-5-15(20)16(21)9-14/h3-9,11H,10,12H2,1-2H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200787
PNG
(CHEMBL3906199)
Show SMILES C[C@@H]1CN(Cc2cccc(F)c2F)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C26H27F2N3O/c1-18-16-30(17-21-11-8-13-23(27)25(21)28)24-14-7-6-12-22(24)19(2)31(18)26(32)29-15-20-9-4-3-5-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,29,32)/t18-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200910
PNG
(CHEMBL3906825)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2nc(F)ccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-11-7-4-8-12-21)24-22(13-14-23(26)28-24)19(2)30(18)25(31)27-15-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,31)/t18-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200813
PNG
(CHEMBL3921765)
Show SMILES [2H]C([2H])(N1C[C@@H](C)N([C@@H](C)c2ccccc12)C(=O)Nc1cccnc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O/c1-18-16-27(17-20-9-4-3-5-10-20)23-13-7-6-12-22(23)19(2)28(18)24(29)26-21-11-8-14-25-15-21/h3-15,18-19H,16-17H2,1-2H3,(H,26,29)/t18-,19+/m1/s1/i17D2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200904
PNG
(CHEMBL3936835)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452227
PNG
(CHEMBL4204573)
Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCCC(F)(F)F
Show InChI InChI=1S/C22H20F3N5O2/c1-15-10-16(3-5-19(15)32-9-7-22(23,24)25)11-21(31)28-20-6-8-30(29-20)14-18-4-2-17(12-26)13-27-18/h2-6,8,10,13H,7,9,11,14H2,1H3,(H,28,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452217
PNG
(CHEMBL4209751)
Show SMILES CC(C(=O)Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H23FN4O/c1-15(17-6-10-19(11-7-17)25(2)3)21(27)23-20-12-13-26(24-20)14-16-4-8-18(22)9-5-16/h4-13,15H,14H2,1-3H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200898
PNG
(CHEMBL3924174)
Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-8-3-5-11-22(19)25)23-12-6-4-10-21(23)18(2)29(17)24(30)27-20-9-7-13-26-14-20/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200928
PNG
(CHEMBL3896161)
Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-5-8-20(25)13-19)23-11-4-3-10-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452282
PNG
(CHEMBL4205975)
Show SMILES FC(F)(F)Oc1ccc(Cc2nc(co2)C(=O)NCc2ccc(nc2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)32-17-6-3-15(4-7-17)11-20-28-18(14-31-20)21(30)27-13-16-5-8-19(26-12-16)29-9-1-2-10-29/h3-8,12,14H,1-2,9-11,13H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50452292
PNG
(CHEMBL4209946)
Show SMILES F[C@H]1CCN(C1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1 |r|
Show InChI InChI=1S/C21H20F3N5O/c22-16-5-7-28(13-16)20-4-2-14(11-25-20)10-21(30)26-19-6-8-29(27-19)12-15-1-3-17(23)18(24)9-15/h1-4,6,8-9,11,16H,5,7,10,12-13H2,(H,26,27,30)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...

J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200893
PNG
(CHEMBL3913893)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C26H29N3O/c1-20-18-28(19-23-13-7-4-8-14-23)25-16-10-9-15-24(25)21(2)29(20)26(30)27-17-22-11-5-3-6-12-22/h3-16,20-21H,17-19H2,1-2H3,(H,27,30)/t20-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116614
BindingDB Entry DOI: 10.7270/Q21Z48DS
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200864
PNG
(CHEMBL3934860)
Show SMILES COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3ccccc3[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C27H31N3O2/c1-20-18-29(19-23-9-5-4-6-10-23)26-12-8-7-11-25(26)21(2)30(20)27(31)28-17-22-13-15-24(32-3)16-14-22/h4-16,20-21H,17-19H2,1-3H3,(H,28,31)/t20-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))		BDBM50200922
PNG
(CHEMBL3950196)
Show SMILES C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)Cc1cncs1 |r|
Show InChI InChI=1S/C23H25N3OS/c1-17-14-25(15-19-8-4-3-5-9-19)22-11-7-6-10-21(22)18(2)26(17)23(27)12-20-13-24-16-28-20/h3-11,13,16-18H,12,14-15H2,1-2H3/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ...

J Med Chem 59: 10661-10675 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01356
BindingDB Entry DOI: 10.7270/Q2RV0QN8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 295 total )  |  Next  |  Last  >>
Jump to: