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PubMed code 28731719

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM50257775
PNG
(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
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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))		BDBM50257807
PNG
(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)
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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))		BDBM50257776
PNG
(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
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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))		BDBM50257813
PNG
(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
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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))		BDBM193000
PNG
(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
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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


(Rattus norvegicus)		BDBM192946
PNG
(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
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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))		BDBM192946
PNG
(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
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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
PNG
(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
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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))		BDBM192616
PNG
(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
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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


(Rattus norvegicus)		BDBM192616
PNG
(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
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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
PNG
(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)
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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
PNG
(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
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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
PNG
(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
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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))		BDBM191789
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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))		BDBM191794
PNG
(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
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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))		BDBM192190
PNG
(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
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n/an/a 357n/an/an/an/an/an/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		3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Rattus norvegicus)		BDBM192615
PNG
(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
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n/an/a 476n/an/an/an/an/an/a



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))		BDBM192475
PNG
(US10526329, Compound 109 | US11072611, Compound 10...)
Show SMILES CCOC(=O)CN1CCC(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C28H32FN5O2S/c1-4-23-27(32(3)28-31-24(18-37-28)20-6-9-22(29)10-7-20)34-16-21(8-11-25(34)30-23)19-12-14-33(15-13-19)17-26(35)36-5-2/h6-11,16,18-19H,4-5,12-15,17H2,1-3H3
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n/an/a 480n/an/an/an/an/an/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))		BDBM50257779
PNG
(CHEMBL4083879)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)nc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H27ClN6O2S2/c1-4-19-23(29(2)24-28-20(15-34-24)17-5-7-21(25)26-13-17)31-14-18(6-8-22(31)27-19)16-9-11-30(12-10-16)35(3,32)33/h5-8,13-16H,4,9-12H2,1-3H3
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n/an/a 493n/an/an/an/an/an/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))		BDBM192286
PNG
(US10526329, Compound 98 | US11072611, Compound 98 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-23(16-35-26)21-8-7-20(27)14-17(21)2)32-15-19(6-9-24(32)28-22)18-10-12-31(13-11-18)36(4,33)34/h6-9,14-16,18H,5,10-13H2,1-4H3
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n/an/a 533n/an/an/an/an/an/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))		BDBM192172
PNG
(US10526329, Compound 100 | US11072611, Compound 80...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-10,15-17H,4,11-14H2,1-3H3
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n/an/a 710n/an/an/an/an/an/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))		BDBM193117
PNG
(US10526329, Compound 192 | US11072611, Compound 19...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30)
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n/an/a 771n/an/an/an/an/an/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))		BDBM50257798
PNG
(CHEMBL4080051)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc-2c(Cc3ccc(F)cc-23)s1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H28FN5O2S2/c1-4-21-25(30(2)26-29-24-20-14-19(27)7-5-17(20)13-22(24)35-26)32-15-18(6-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,14-16H,4,9-13H2,1-3H3
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n/an/a 804n/an/an/an/an/an/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))		BDBM192187
PNG
(US10526329, Compound 84 | US11072611, Compound 84 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(cc1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H28F3N5O2S2/c1-4-21-24(32(2)25-31-22(16-37-25)18-5-8-20(9-6-18)26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)38(3,35)36/h5-10,15-17H,4,11-14H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus)		BDBM192172
PNG
(US10526329, Compound 100 | US11072611, Compound 80...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-10,15-17H,4,11-14H2,1-3H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



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))		BDBM50257813
PNG
(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
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n/an/a 1.21E+3n/an/an/an/an/an/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))		BDBM50257812
PNG
(CHEMBL4096556)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc-2c(Cc3cc(F)ccc-23)s1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H28FN5O2S2/c1-4-21-25(30(2)26-29-24-20-7-6-19(27)13-18(20)14-22(24)35-26)32-15-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13,15-16H,4,9-12,14H2,1-3H3
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n/an/a 1.21E+3n/an/an/an/an/an/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))		BDBM192923
PNG
(US10526329, Compound 138 | US11072611, Compound 13...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)
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n/an/a 1.41E+3n/an/an/an/an/an/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))		BDBM191806
PNG
(US10526329, Compound 40 | US11072611, Compound 40 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncco2)CC1
Show InChI InChI=1S/C27H28FN7OS/c1-3-22-26(32(2)27-31-23(18-37-27)19-4-6-20(28)7-5-19)35-16-21(8-9-24(35)30-22)34-13-11-33(12-14-34)17-25-29-10-15-36-25/h4-10,15-16,18H,3,11-14,17H2,1-2H3
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n/an/a 1.52E+3n/an/an/an/an/an/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))		BDBM193179
PNG
(US10526329, Compound 194 | US11072611, Compound 19...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)NC2CC2)CC1
Show InChI InChI=1S/C29H33FN6OS/c1-3-24-28(34(2)29-33-25(18-38-29)20-4-7-22(30)8-5-20)36-16-21(6-11-26(36)32-24)19-12-14-35(15-13-19)17-27(37)31-23-9-10-23/h4-8,11,16,18-19,23H,3,9-10,12-15,17H2,1-2H3,(H,31,37)
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n/an/a 1.61E+3n/an/an/an/an/an/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))		BDBM50257777
PNG
(CHEMBL4070910)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H28FN5OS/c1-4-22-25(30(3)26-29-23(16-34-26)19-5-8-21(27)9-6-19)32-15-20(7-10-24(32)28-22)18-11-13-31(14-12-18)17(2)33/h5-10,15-16,18H,4,11-14H2,1-3H3
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n/an/a 1.62E+3n/an/an/an/an/an/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))		BDBM192177
PNG
(US10526329, Compound 82 | US11072611, Compound 82 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H31N5O3S2/c1-5-22-25(29(2)26-28-23(17-35-26)19-6-9-21(34-3)10-7-19)31-16-20(8-11-24(31)27-22)18-12-14-30(15-13-18)36(4,32)33/h6-11,16-18H,5,12-15H2,1-4H3
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n/an/a 1.68E+3n/an/an/an/an/an/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))		BDBM191807
PNG
(US10526329, Compound 41 | US11072611, Compound 41 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncon2)CC1
Show InChI InChI=1S/C26H27FN8OS/c1-3-21-25(32(2)26-30-22(16-37-26)18-4-6-19(27)7-5-18)35-14-20(8-9-24(35)29-21)34-12-10-33(11-13-34)15-23-28-17-36-31-23/h4-9,14,16-17H,3,10-13,15H2,1-2H3
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n/an/a 1.71E+3n/an/an/an/an/an/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))		BDBM192186
PNG
(US10526329, Compound 83 | US11072611, Compound 83 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)c(F)c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)17-5-7-19(26)20(27)13-17)32-14-18(6-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13-16H,4,9-12H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/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))		BDBM50257814
PNG
(CHEMBL4101875)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)C1CCCCC1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O2S2/c1-4-21-24(28(2)25-27-22(17-33-25)19-8-6-5-7-9-19)30-16-20(10-11-23(30)26-21)18-12-14-29(15-13-18)34(3,31)32/h10-11,16-19H,4-9,12-15H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/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))		BDBM192291
PNG
(US11072611, Compound 100 | US9670204, 100 4-(2,4-d...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)19-7-6-18(26)13-20(19)27)32-14-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13-16H,4,9-12H2,1-3H3
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n/an/a 2.02E+3n/an/an/an/an/an/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))		BDBM192297
PNG
(US10526329, Compound 101 | US11072611, Compound 10...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(C)s1)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-24(17(2)35-26)19-6-9-21(27)10-7-19)32-16-20(8-11-23(32)28-22)18-12-14-31(15-13-18)36(4,33)34/h6-11,16,18H,5,12-15H2,1-4H3
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n/an/a 2.27E+3n/an/an/an/an/an/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))		BDBM193000
PNG
(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
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n/an/a 2.36E+3n/an/an/an/an/an/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))		BDBM192790
PNG
(US10526329, Compound 125 | US11072611, Compound 12...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(N)=O)CC1
Show InChI InChI=1S/C26H29FN6OS/c1-3-21-25(31(2)26-30-22(16-35-26)18-4-7-20(27)8-5-18)33-14-19(6-9-24(33)29-21)17-10-12-32(13-11-17)15-23(28)34/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H2,28,34)
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n/an/a 2.37E+3n/an/an/an/an/an/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


(Rattus norvegicus)		BDBM193117
PNG
(US10526329, Compound 192 | US11072611, Compound 19...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30)
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n/an/a 4.10E+3n/an/an/an/an/an/a



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))		BDBM193363
PNG
(US10526329, Compound 226 | US11072611, Compound 22...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
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n/an/a>4.10E+3n/an/an/an/an/an/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))		BDBM50257815
PNG
(CHEMBL4080946)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1cc(F)cc(F)c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)18-11-19(26)13-20(27)12-18)32-14-17(5-6-23(32)28-21)16-7-9-31(10-8-16)36(3,33)34/h5-6,11-16H,4,7-10H2,1-3H3
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n/an/a 4.25E+3n/an/an/an/an/an/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


(Rattus norvegicus)		BDBM50257813
PNG
(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
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n/an/a<5.00E+3n/an/an/an/an/an/a



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


(Rattus norvegicus)		BDBM193000
PNG
(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
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n/an/a 6.08E+3n/an/an/an/an/an/a



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))		BDBM50257807
PNG
(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)
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n/an/a 6.56E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 6.80E+3n/an/an/an/an/an/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))		BDBM192173
PNG
(US10526329, Compound 81 | US11072611, Compound 81 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(cc1)C(C)(C)C)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H37N5O2S2/c1-7-24-27(32(5)28-31-25(19-37-28)21-8-11-23(12-9-21)29(2,3)4)34-18-22(10-13-26(34)30-24)20-14-16-33(17-15-20)38(6,35)36/h8-13,18-20H,7,14-17H2,1-6H3
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n/an/a 7.61E+3n/an/an/an/an/an/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))		BDBM191808
PNG
(US10526329, Compound 42 | US11072611, Compound 42 ...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(O)=O)CC1
Show InChI InChI=1S/C25H27FN6O2S/c1-3-20-24(29(2)25-28-21(16-35-25)17-4-6-18(26)7-5-17)32-14-19(8-9-22(32)27-20)31-12-10-30(11-13-31)15-23(33)34/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,33,34)
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n/an/a 9.16E+3n/an/an/an/an/an/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))		BDBM50257794
PNG
(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)
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n/an/a>1.00E+4n/an/an/an/an/an/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))		BDBM50257775
PNG
(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
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n/an/a>1.00E+4n/an/an/an/an/an/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))		BDBM50257795
PNG
(CHEMBL4087931)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(O)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H28FN5O4S2/c1-4-20-24(30(2)26-29-22(23(37-26)25(33)34)17-5-8-19(27)9-6-17)32-15-18(7-10-21(32)28-20)16-11-13-31(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/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))		BDBM50257778
PNG
(CHEMBL4091653)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc2ccccc2s1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O2S2/c1-4-18-22(26(2)23-25-19-7-5-6-8-20(19)31-23)28-15-17(9-10-21(28)24-18)16-11-13-27(14-12-16)32(3,29)30/h5-10,15-16H,4,11-14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/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


(Rattus norvegicus)		BDBM50257807
PNG
(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)
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n/an/a 1.26E+4n/an/an/an/an/an/a



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


(Rattus norvegicus)		BDBM50257794
PNG
(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)
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n/an/a>5.00E+4n/an/an/an/an/an/a



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


(Rattus norvegicus)		BDBM50257776
PNG
(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
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n/an/a>5.00E+4n/an/an/an/an/an/a



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


(Rattus norvegicus)		BDBM50257775
PNG
(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
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n/an/a<5.00E+4n/an/an/an/an/an/a



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
* indicates data uncertainty>20%