Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50000964 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 |
|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192943
(US10526329, Compound 139 | US9670204, 138 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM354359
(2-((2-ethyl-6-(4-(2- (3-hydroxyazetidin- 1-yl)-2- ...)Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H30FN9O2S/c1-3-21-27(34(2)28-32-26(22(14-30)41-28)18-4-6-19(29)7-5-18)38-23(31-21)8-9-24(33-38)36-12-10-35(11-13-36)17-25(40)37-15-20(39)16-37/h4-9,20,39H,3,10-13,15-17H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM354335
(2-((2-ethyl-6-(4-(2- (3-hydroxyazetidin- 1-yl)-2- ...)Show SMILES CCc1nc2cnc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H30FN9O2S/c1-3-21-27(34(2)28-33-26(22(12-30)41-28)18-4-6-19(29)7-5-18)38-16-24(31-13-23(38)32-21)36-10-8-35(9-11-36)17-25(40)37-14-20(39)15-37/h4-7,13,16,20,39H,3,8-11,14-15,17H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50266529
(CHEMBL4091174)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-4-25-30(36(3)31-35-28(26(14-33)42-31)21-5-7-23(32)8-6-21)39-15-22(13-19(2)29(39)34-25)20-9-11-37(12-10-20)18-27(41)38-16-24(40)17-38/h5-8,13,15,20,24,40H,4,9-12,16-18H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM354549
(6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...)Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H33FN8O2/c1-3-25-31(37(2)27-10-6-22(16-33)30(35-27)21-4-7-23(32)8-5-21)40-28(34-25)11-9-26(36-40)20-12-14-38(15-13-20)19-29(42)39-17-24(41)18-39/h4-11,20,24,41H,3,12-15,17-19H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of ATX in human plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192476
(US10526329, Compound 110 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H33FN6O2S/c1-3-24-28(33(2)29-32-25(18-39-29)20-4-7-22(30)8-5-20)36-14-21(6-9-26(36)31-24)19-10-12-34(13-11-19)17-27(38)35-15-23(37)16-35/h4-9,14,18-19,23,37H,3,10-13,15-17H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191765
(US10526329, Compound 24 | US11072611, Compound 24 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H32FN7O2S/c1-3-23-27(32(2)28-31-24(18-39-28)19-4-6-20(29)7-5-19)36-14-21(8-9-25(36)30-23)34-12-10-33(11-13-34)17-26(38)35-15-22(37)16-35/h4-9,14,18,22,37H,3,10-13,15-17H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM354551
(2-(5-((2-ethyl-6-(1- (2-(3- hydroxyazetidin-1- yl)...)Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(ns1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H30FN9O2S/c1-3-22-27(35(2)28-32-26(34-41-28)21-5-4-19(29)12-18(21)13-30)38-24(31-22)7-6-23(33-38)17-8-10-36(11-9-17)16-25(40)37-14-20(39)15-37/h4-7,12,17,20,39H,3,8-11,14-16H2,1-2H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Mus musculus) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of ATX in mouse plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50266528
(CHEMBL4069420)Show SMILES CCc1nc2cc(C)c(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H35FN6O2S/c1-4-25-29(34(3)30-33-26(18-40-30)21-5-7-22(31)8-6-21)37-16-24(19(2)13-27(37)32-25)20-9-11-35(12-10-20)17-28(39)36-14-23(38)15-36/h5-8,13,16,18,20,23,38H,4,9-12,14-15,17H2,1-3H3 | PDB
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Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM192476
(US10526329, Compound 110 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H33FN6O2S/c1-3-24-28(33(2)29-32-25(18-39-29)20-4-7-22(30)8-5-20)36-14-21(6-9-26(36)31-24)19-10-12-34(13-11-19)17-27(38)35-15-23(37)16-35/h4-9,14,18-19,23,37H,3,10-13,15-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by manual patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM192943
(US10526329, Compound 139 | US9670204, 138 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by manual patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM191765
(US10526329, Compound 24 | US11072611, Compound 24 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C28H32FN7O2S/c1-3-23-27(32(2)28-31-24(18-39-28)19-4-6-20(29)7-5-19)36-14-21(8-9-25(36)30-23)34-12-10-33(11-13-34)17-26(38)35-15-22(37)16-35/h4-9,14,18,22,37H,3,10-13,15-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated patch clamp assay |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
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