Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'le tallec' and Initial = 's'   

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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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)
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548385 (Glpg-1205 | Glpg1205) Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-9-(2-phenylethyl)-2-(2-pyrazin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one from recombinant FLAG-tagged GPR84 (un...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548398 (CHEMBL3718309) Show SMILES OC(C#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548387 (CHEMBL4794652) Show SMILES O=c1nc(OCCOc2cnccn2)cc2-c3ccc(CCc4ccccc4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548393 (CHEMBL3716446) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548393 (CHEMBL3716446) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548412 (CHEMBL4776061) Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50548406 (CHEMBL4757870) Show SMILES COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PDE4A overexpressed in HEK293 cells assessed as reduction in cAMP hydrolysis by HTRF based immunoassay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548412 (CHEMBL4776061) Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548420 (CHEMBL4750532) Show SMILES CCCCCCOc1cc2-c3cc(OC)c(OC)cc3CCn2c(=O)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548391 (CHEMBL3717201) Show SMILES CN(CC#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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 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)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548401 (CHEMBL4755764) Show SMILES COc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548392 (CHEMBL3717853) Show SMILES CC(C)CC(O)C#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548394 (CHEMBL3717416) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(COC4CCCC4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Mus musculus)	BDBM50548393 (CHEMBL3716446) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant mouse GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduct...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548403 (CHEMBL3714917) Show SMILES COc1ccc-2c(CCn3c-2cc(OCC2COc4ccccc4O2)nc3=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548385 (Glpg-1205 | Glpg1205) Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548390 (CHEMBL3719092) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548416 (CHEMBL4756307) Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccc4)nc3=O)-c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548395 (CHEMBL3718005) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(NCc4ccco4)cc3CCn12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548386 (CHEMBL3717363) Show SMILES O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548396 (CHEMBL4744625) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	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 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	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
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548406 (CHEMBL4757870) Show SMILES COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548421 (CHEMBL4795786) Show SMILES COc1cc2CCn3c(cc(OCc4ccccc4)nc3=O)-c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					More data for this Ligand-Target Pair
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50548399 (CHEMBL3718710) Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)-c1ccccc1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00272 BindingDB Entry DOI: 10.7270/Q2V40ZT3
					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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
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))	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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	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

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