Found 1487 hits with Last Name = 'pozzi' and Initial = 'd' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50452245
(Act-709478)Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Binding activity to inactivated state of recombinant human Cav3.3 expressed in CHO cells assessed as inhibition of tail current amplitude by whole ce... |
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)) | BDBM50452305
(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/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM639887
(3-Ethoxy-5-{6-[2-(6-methoxy-4-methyl-benzofuran-5-...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2c(C)c3ccoc3cc2OC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM639881
(5-{6-[2-(3-Cyano-1-methyl-naphthalen-2-yl)-ethylam...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2c(C)c3ccccc3cc2C#N)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM639880
(3-Ethoxy-5-{6-[2-(3-methoxy-1-methyl-naphthalen-2-...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2c(C)c3ccccc3cc2OC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM640244
(3-Ethoxy-5-{6-[2-(4-fluoro-benzo[b]thiophen-5-yl)-...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2ccc3sccc3c2F)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50452242
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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 | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM640273
(2-Cyclobutoxy-4-{6-[2-(7-methoxy-5-methyl-2,3-dihy...)Show SMILES COc1cc2OCCOc2c(C)c1CCNc1cc(ncn1)-c1ccc(C(O)=O)c(OC2CCC2)c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM640239
(3-Ethoxy-5-{6-[2-(7-fluoro-benzo[b]thiophen-5-yl)-...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2cc(F)c3sccc3c2)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50452323
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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-1G
(Homo sapiens (Human)) | BDBM50452238
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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
(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/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452301
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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-1G
(Homo sapiens (Human)) | BDBM50192668
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CaV 3.1 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)) | BDBM50452289
(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/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452233
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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
(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/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452294
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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-1G
(Homo sapiens (Human)) | BDBM50452306
(CHEMBL4211105)Show SMILES Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(OC4CC(F)(F)C4)cc3)n2)cc1F Show InChI InChI=1S/C22H19F4N3O2/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)31-17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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
(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/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452243
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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
(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/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus) | BDBM50452245
(Act-709478)Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1 Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of Cav3.3 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assa... |
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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452256
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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
(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/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM639918
(3-Ethoxy-5-{6-[2-(7-ethoxy-2,3-dihydro-benzo[1,4]d...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2cc3OCCOc3cc2OCC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM639883
(3-Ethoxy-5-{6-[2-(6-methoxy-benzo[b]thiophen-5-yl)...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2cc3ccsc3cc2OC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM640100
(2-Ethoxy-4-{6-[2-(6-methoxy-4-methyl-benzofuran-5-...)Show SMILES CCOc1cc(ccc1C(O)=O)-c1cc(NCCc2c(C)c3ccoc3cc2OC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM640277
(4-{6-[2-(7-Methoxy-5-methyl-2,3-dihydro-benzo[1,4]...)Show SMILES COc1cc2OCCOc2c(C)c1CCNc1cc(ncn1)-c1ccc(C(O)=O)c(SC)c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50452325
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM639882
(3-Ethoxy-5-{6-[2-(1-fluoro-3-methoxy-naphthalen-2-...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2c(F)c3ccccc3cc2OC)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50452280
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM640236
(5-{6-[2-(7-Chloro-benzo[b]thiophen-5-yl)-ethylamin...)Show SMILES CCOc1cc(sc1C(O)=O)-c1cc(NCCc2cc(Cl)c3sccc3c2)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50452290
(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/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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-1G
(Homo sapiens (Human)) | BDBM50452236
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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-1G
(Homo sapiens (Human)) | BDBM50452257
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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-1G
(Homo sapiens (Human)) | BDBM50452258
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of recombinant Cav3.1 (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 | |