Found 151 hits with Last Name = 'galien' and Initial = 'r' 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK2 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK2 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031743
(CHEMBL3360349)Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccn(n3)-c3ccccc3)n2n1)C1CC1 Show InChI InChI=1S/C28H25N7O2/c36-26(29-17-15-22-16-18-34(32-22)23-5-2-1-3-6-23)20-11-9-19(10-12-20)24-7-4-8-25-30-28(33-35(24)25)31-27(37)21-13-14-21/h1-12,16,18,21H,13-15,17H2,(H,29,36)(H,31,33,37) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031745
(CHEMBL3360351 | US10206907, Compound 225)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1 Show InChI InChI=1S/C25H22N6O/c26-15-14-18-4-1-2-5-21(18)27-16-17-8-10-19(11-9-17)22-6-3-7-23-28-25(30-31(22)23)29-24(32)20-12-13-20/h1-11,20,27H,12-14,16H2,(H,29,30,32) | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257775
(CHEMBL4100462)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C24H20FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)16-6-9-19(25)10-7-16)30-14-18(8-11-22(30)27-20)17-5-4-12-26-13-17/h4-15H,3H2,1-2H3 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031760
(CHEMBL3360330)Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(NC(C)=O)cc3)nn12 Show InChI InChI=1S/C21H19N5O2/c1-14(27)22-16-8-10-17(11-9-16)23-21-24-20-5-3-4-19(26(20)25-21)15-6-12-18(28-2)13-7-15/h3-13H,1-2H3,(H,22,27)(H,23,25) | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257807
(CHEMBL4073638)Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H31ClN6O3S/c1-4-22-26(33(3)27-32-23(17-39-27)18-6-9-20(29)10-7-18)35-16-19(8-11-24(35)31-22)25(36)30-21-12-14-34(15-13-21)28(37)38-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,30,36) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257776
(CHEMBL4084005)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5OS/c1-3-19-22(27(2)23-26-20(15-31-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-30-13-11-28/h4-9,14-15H,3,10-13H2,1-2H3 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031744
(CHEMBL3360350)Show SMILES OCc1cc(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)ccc1O Show InChI InChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31) | PDB
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257813
(CHEMBL4062291)Show SMILES CCOC(=O)N1CCC(CC1)NCc1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H33ClN6O2S/c1-4-23-26(33(3)27-32-24(18-38-27)20-7-9-21(29)10-8-20)35-17-19(6-11-25(35)31-23)16-30-22-12-14-34(15-13-22)28(36)37-5-2/h6-11,17-18,22,30H,4-5,12-16H2,1-3H3 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore... |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM193000
(US10526329, Compound 180 | US11072611, Compound 18...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H29FN6OS/c1-3-21-24(29(2)25-28-22(17-34-25)18-4-6-19(26)7-5-18)32-16-20(8-9-23(32)27-21)31-12-10-30(11-13-31)14-15-33/h4-9,16-17,33H,3,10-15H2,1-2H3 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore... |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031738
(CHEMBL3360355)Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
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 , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031742
(CHEMBL3360348 | US10206907, Compound 59)Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103737
(US10206907, Compound 234 | US11000528, Cpd # 11 | ...)Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1 Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
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 , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
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 , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031804
(CHEMBL3360341)Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-10-8-12(9-11-14)15-4-3-5-16-19-18(21-22(15)16)20-17(23)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,20,21,23) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Jak1 protein
(Rattus norvegicus) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of rat JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031740
(CHEMBL3360357 | US10206907, Compound 304)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031806
(CHEMBL3360343)Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-9-7-12(8-10-14)15-4-3-11-22-16(15)19-18(21-22)20-17(23)13-5-6-13/h3-4,7-11,13H,2,5-6H2,1H3,(H,20,21,23) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031747
(CHEMBL3360318)Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192616
(US10526329, Compound 115 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C30H35FN6OS/c1-3-25-29(34(2)30-33-26(20-39-30)22-6-9-24(31)10-7-22)37-18-23(8-11-27(37)32-25)21-12-16-35(17-13-21)19-28(38)36-14-4-5-15-36/h6-11,18,20-21H,3-5,12-17,19H2,1-2H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103728
(US10206907, Compound 18 | US11000528, Cpd # 2 | US...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031802
(CHEMBL3360339 | US10206907, Compound 14)Show SMILES O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1 Show InChI InChI=1S/C23H20N4O2/c28-22(17-12-13-17)25-23-24-21-11-5-10-20(27(21)26-23)18-8-4-9-19(14-18)29-15-16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,25,26,28) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM192616
(US10526329, Compound 115 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C30H35FN6OS/c1-3-25-29(34(2)30-33-26(20-39-30)22-6-9-24(31)10-7-22)37-18-23(8-11-27(37)32-25)21-12-16-35(17-13-21)19-28(38)36-14-4-5-15-36/h6-11,18,20-21H,3-5,12-17,19H2,1-2H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257794
(CHEMBL4084750)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C(=O)NCCO Show InChI InChI=1S/C22H22ClN5O2S/c1-3-17-21(28-12-15(6-9-19(28)25-17)20(30)24-10-11-29)27(2)22-26-18(13-31-22)14-4-7-16(23)8-5-14/h4-9,12-13,29H,3,10-11H2,1-2H3,(H,24,30) | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore... |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192268
(US10526329, Compound 96 | US11072611, Compound 96 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H27FN6O2S2/c1-4-22-25(31(2)26-30-23(16-36-26)21-7-6-20(27)13-19(21)14-28)33-15-18(5-8-24(33)29-22)17-9-11-32(12-10-17)37(3,34)35/h5-8,13,15-17H,4,9-12H2,1-3H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192922
(US10526329, Compound 136 | US11072611, Compound 13...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H27FN6O2S2/c1-4-21-25(31(2)26-30-24(22(15-28)36-26)18-5-8-20(27)9-6-18)33-16-19(7-10-23(33)29-21)17-11-13-32(14-12-17)37(3,34)35/h5-10,16-17H,4,11-14H2,1-3H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50031747
(CHEMBL3360318)Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK2 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50438696
(CHEMBL2414557)Show InChI InChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031746
(CHEMBL3360352)Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(COc4ccc(cc4)C#N)C3)n2n1)C1CC1 Show InChI InChI=1S/C27H24N6O2/c28-14-18-4-12-23(13-5-18)35-17-19-15-32(16-19)22-10-8-20(9-11-22)24-2-1-3-25-29-27(31-33(24)25)30-26(34)21-6-7-21/h1-5,8-13,19,21H,6-7,15-17H2,(H,30,31,34) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50438695
(CHEMBL2414558)Show InChI InChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031762
(CHEMBL3360332)Show InChI InChI=1S/C16H14N4O/c21-15(12-9-10-12)18-16-17-14-8-4-7-13(20(14)19-16)11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,18,19,21) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191789
(US10526329, Compound 32 | US11072611, Compound 32 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(20-40-29)21-4-6-22(30)7-5-21)37-18-23(8-9-26(37)31-24)35-12-10-34(11-13-35)19-27(38)36-14-16-39-17-15-36/h4-9,18,20H,3,10-17,19H2,1-2H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
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 , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192615
(US10526329, Compound 114 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)17-26(36)32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human FLT4 (unknown origin) |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM191794
(US10526329, Compound 36 | US11072611, Compound 36 ...)Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031737
(CHEMBL3360840)Show SMILES Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1 Show InChI InChI=1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human FLT3 (unknown origin) |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192190
(US10526329, Compound 87 | US11072611, Compound 87 ...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN(C)C Show InChI InChI=1S/C29H37FN6O2S2/c1-5-25-28(34(4)29-32-26(20-39-29)22-7-10-24(30)11-8-22)36-19-23(9-12-27(36)31-25)21-13-16-35(17-14-21)40(37,38)18-6-15-33(2)3/h7-12,19-21H,5-6,13-18H2,1-4H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031763
(CHEMBL3360333)Show InChI InChI=1S/C17H16N4O2/c1-23-14-7-3-2-5-12(14)13-6-4-8-15-18-17(20-21(13)15)19-16(22)11-9-10-11/h2-8,11H,9-10H2,1H3,(H,19,20,22) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031758
(CHEMBL3360328)Show InChI InChI=1S/C15H15N5O2/c1-16-15(21)18-14-17-13-5-3-4-12(20(13)19-14)10-6-8-11(22-2)9-7-10/h3-9H,1-2H3,(H2,16,18,19,21) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50031807
(CHEMBL3360344)Show InChI InChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)15-18-10-9-14-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23) | PDB
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Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM192615
(US10526329, Compound 114 | US11072611, Compound 11...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)17-26(36)32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3 | PDB
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Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
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