Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'sugiyama' and Initial = 't'   

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
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196700 (5-((3-(3-(prop-1-en-2-yl)benzyl)cyclohexyl)methyl)...) Show SMILES [O-][N+](=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C19H21N5O2/c25-24(26)18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21H,2,4,8,12-13H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196694 (CHEMBL225166 | N-(1-(thiophen-3-ylmethyl)piperidin...) Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1 Show InChI InChI=1S/C17H20N4S/c1-2-16(11-21(6-1)10-13-5-7-22-12-13)19-15-3-4-17-14(8-15)9-18-20-17/h3-5,7-9,12,16,19H,1-2,6,10-11H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM364551 (US9862721, 10(5)) Show SMILES C[C@]1(CCC(CC(=O)N2CCc3c(C2)n(Cc2cnc(s2)C(F)(F)F)c2ncccc32)CC1)C(O)=O |r,wU:1.0,wD:1.37,(15.95,-.01,;14.45,.31,;13.42,-.83,;11.91,-.51,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.87,-2.96,;-.16,-4.11,;.61,-5.44,;2.12,-5.12,;-.02,-6.85,;-.64,-8.26,;-1.42,-6.22,;1.39,-7.47,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;12.47,2.1,;13.97,1.78,;14.92,-1.15,;13.89,-2.3,;16.43,-1.47,)| Show InChI InChI=1S/C25H27F3N4O3S/c1-24(23(34)35)7-4-15(5-8-24)11-20(33)31-10-6-17-18-3-2-9-29-21(18)32(19(17)14-31)13-16-12-30-22(36-16)25(26,27)28/h2-3,9,12,15H,4-8,10-11,13-14H2,1H3,(H,34,35)/t15?,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232961 (US9353113, 10(5)) Show SMILES C[C@@]1(CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2cnc(s2)C(F)(F)F)c2ncccc32)CC1)C(O)=O |r,wU:1.37,wD:1.0,4.4,(15.81,1.04,;14.45,.31,;13.42,-.83,;11.91,-.51,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;4.94,-3.59,;6.35,-2.96,;7.38,-4.11,;6.61,-5.44,;5.1,-5.12,;7.24,-6.85,;7.86,-8.26,;5.83,-7.47,;8.64,-6.22,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;12.47,2.1,;13.97,1.78,;15.4,-.9,;16.92,-.69,;14.82,-2.33,)| Show InChI InChI=1S/C25H27F3N4O3S/c1-24(23(34)35)7-4-15(5-8-24)11-20(33)31-10-6-17-18-3-2-9-29-21(18)32(19(17)14-31)13-16-12-30-22(36-16)25(26,27)28/h2-3,9,12,15H,4-8,10-11,13-14H2,1H3,(H,34,35)/t15-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232952 (US9353113, 3(50) | US9862721, 3(50)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1cnc(s1)C(F)(F)F)c1ncccc21)C(O)=O Show InChI InChI=1S/C23H25F3N4O3S/c1-22(2,21(32)33)8-3-6-18(31)29-10-7-15-16-5-4-9-27-19(16)30(17(15)13-29)12-14-11-28-20(34-14)23(24,25)26/h4-5,9,11H,3,6-8,10,12-13H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232952 (US9353113, 3(50) | US9862721, 3(50)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1cnc(s1)C(F)(F)F)c1ncccc21)C(O)=O Show InChI InChI=1S/C23H25F3N4O3S/c1-22(2,21(32)33)8-3-6-18(31)29-10-7-15-16-5-4-9-27-19(16)30(17(15)13-29)12-14-11-28-20(34-14)23(24,25)26/h4-5,9,11H,3,6-8,10,12-13H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232957 (US9353113, 7(41) | US9862721, 7(41)) Show SMILES C[C@H]1CN(CC(=O)N2CCc3c(C2)n(Cc2ccc(s2)C(F)(F)F)c2ncccc32)C[C@@H](C)N1CC(O)=O Show InChI InChI=1S/C26H30F3N5O3S/c1-16-10-31(11-17(2)33(16)15-24(36)37)14-23(35)32-9-7-19-20-4-3-8-30-25(20)34(21(19)13-32)12-18-5-6-22(38-18)26(27,28)29/h3-6,8,16-17H,7,9-15H2,1-2H3,(H,36,37)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232957 (US9353113, 7(41) | US9862721, 7(41)) Show SMILES C[C@H]1CN(CC(=O)N2CCc3c(C2)n(Cc2ccc(s2)C(F)(F)F)c2ncccc32)C[C@@H](C)N1CC(O)=O Show InChI InChI=1S/C26H30F3N5O3S/c1-16-10-31(11-17(2)33(16)15-24(36)37)14-23(35)32-9-7-19-20-4-3-8-30-25(20)34(21(19)13-32)12-18-5-6-22(38-18)26(27,28)29/h3-6,8,16-17H,7,9-15H2,1-2H3,(H,36,37)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155300 (US9006246, 31(24) | US9636330, 31(24)) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(8.62,-3.95,;8.62,-2.41,;9.96,-1.64,;7.29,-1.64,;7.24,-.07,;5.91,.7,;4.57,-.07,;3.24,.7,;1.91,-.07,;1.91,-1.61,;.57,.7,;.57,2.24,;-.77,3,;-2.1,2.23,;-2.1,.69,;-.76,-.08,;-3.56,.21,;-3.96,-1.28,;-5.44,-1.68,;-6.53,-.59,;-8.02,-.99,;-8.42,-2.48,;-9.91,-2.88,;-7.33,-3.57,;-5.84,-3.17,;-4.75,-4.26,;-4.47,1.45,;-6,1.6,;-6.63,3.01,;-5.73,4.26,;-4.2,4.1,;-3.57,2.7,;4.57,-1.61,;5.91,-2.38,)| Show InChI InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196718 (CHEMBL373512 | N-(1-(thiophen-2-ylmethyl)piperidin...) Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccs1 Show InChI InChI=1S/C17H20N4S/c1-3-15(11-21(7-1)12-16-4-2-8-22-16)19-14-5-6-17-13(9-14)10-18-20-17/h2,4-6,8-10,15,19H,1,3,7,11-12H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155300 (US9006246, 31(24) | US9636330, 31(24)) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(8.62,-3.95,;8.62,-2.41,;9.96,-1.64,;7.29,-1.64,;7.24,-.07,;5.91,.7,;4.57,-.07,;3.24,.7,;1.91,-.07,;1.91,-1.61,;.57,.7,;.57,2.24,;-.77,3,;-2.1,2.23,;-2.1,.69,;-.76,-.08,;-3.56,.21,;-3.96,-1.28,;-5.44,-1.68,;-6.53,-.59,;-8.02,-.99,;-8.42,-2.48,;-9.91,-2.88,;-7.33,-3.57,;-5.84,-3.17,;-4.75,-4.26,;-4.47,1.45,;-6,1.6,;-6.63,3.01,;-5.73,4.26,;-4.2,4.1,;-3.57,2.7,;4.57,-1.61,;5.91,-2.38,)| Show InChI InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232955 (US9353113, 6(65) | US9862721, 6(65)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3cnc(s3)C(F)(F)F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C25H25F3N4O3S/c26-25(27,28)21-30-11-15(36-21)12-32-18-13-31(9-3-16(18)17-2-1-8-29-20(17)32)19(33)10-23-4-6-24(14-23,7-5-23)22(34)35/h1-2,8,11H,3-7,9-10,12-14H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232955 (US9353113, 6(65) | US9862721, 6(65)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3cnc(s3)C(F)(F)F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C25H25F3N4O3S/c26-25(27,28)21-30-11-15(36-21)12-32-18-13-31(9-3-16(18)17-2-1-8-29-20(17)32)19(33)10-23-4-6-24(14-23,7-5-23)22(34)35/h1-2,8,11H,3-7,9-10,12-14H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232962 (US9353113, 11(12) | US9862721, 11(12)) Show SMILES COc1cc(CC(=O)N2CCc3c(C2)n(Cc2ccc(OC(F)(F)F)cc2)c2ncccc32)ccc1C(O)=O Show InChI InChI=1S/C28H24F3N3O5/c1-38-24-13-18(6-9-22(24)27(36)37)14-25(35)33-12-10-20-21-3-2-11-32-26(21)34(23(20)16-33)15-17-4-7-19(8-5-17)39-28(29,30)31/h2-9,11,13H,10,12,14-16H2,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232962 (US9353113, 11(12) | US9862721, 11(12)) Show SMILES COc1cc(CC(=O)N2CCc3c(C2)n(Cc2ccc(OC(F)(F)F)cc2)c2ncccc32)ccc1C(O)=O Show InChI InChI=1S/C28H24F3N3O5/c1-38-24-13-18(6-9-22(24)27(36)37)14-25(35)33-12-10-20-21-3-2-11-32-26(21)34(23(20)16-33)15-17-4-7-19(8-5-17)39-28(29,30)31/h2-9,11,13H,10,12,14-16H2,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542080 (CHEMBL4649390) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H28FN3O3/c28-19-5-3-18(4-6-19)15-31-22-16-30(13-7-20(22)21-2-1-12-29-24(21)31)23(32)14-26-8-10-27(17-26,11-9-26)25(33)34/h1-6,12H,7-11,13-17H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542079 (CHEMBL4647102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30FN3O3/c29-20-5-3-19(4-6-20)17-32-23-18-31(15-7-21(23)22-2-1-14-30-25(22)32)24(33)16-27-8-11-28(12-9-27,13-10-27)26(34)35/h1-6,14H,7-13,15-18H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155280 (US9006246, 12(97) | US9636330, 12(97)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1F)c1ncccc21)C(O)=O Show InChI InChI=1S/C25H27F2N3O3/c1-25(2,24(32)33)10-3-6-22(31)29-12-9-18-19-5-4-11-28-23(19)30(21(18)15-29)14-16-7-8-17(26)13-20(16)27/h4-5,7-8,11,13H,3,6,9-10,12,14-15H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155280 (US9006246, 12(97) | US9636330, 12(97)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1F)c1ncccc21)C(O)=O Show InChI InChI=1S/C25H27F2N3O3/c1-25(2,24(32)33)10-3-6-22(31)29-12-9-18-19-5-4-11-28-23(19)30(21(18)15-29)14-16-7-8-17(26)13-20(16)27/h4-5,7-8,11,13H,3,6,9-10,12,14-15H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232964 (US9353113, Ref. Ex. 2) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(16.99,1.14,;15.95,-.01,;16.43,-1.47,;14.45,.31,;13.97,1.78,;12.47,2.1,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.94,-2.82,;-.39,-3.59,;-.39,-5.13,;-1.72,-5.9,;.94,-5.9,;2.28,-5.13,;3.61,-5.9,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;11.91,-.51,;13.42,-.83,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155341 (US9006246, 51(48) | US9636330, 51(48)) Show SMILES Cc1cc(CC(=O)N2CCc3c(C2)n(Cc2csc(Cl)c2)c2ncccc32)ccc1C(O)=O Show InChI InChI=1S/C25H22ClN3O3S/c1-15-9-16(4-5-18(15)25(31)32)11-23(30)28-8-6-19-20-3-2-7-27-24(20)29(21(19)13-28)12-17-10-22(26)33-14-17/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155341 (US9006246, 51(48) | US9636330, 51(48)) Show SMILES Cc1cc(CC(=O)N2CCc3c(C2)n(Cc2csc(Cl)c2)c2ncccc32)ccc1C(O)=O Show InChI InChI=1S/C25H22ClN3O3S/c1-15-9-16(4-5-18(15)25(31)32)11-23(30)28-8-6-19-20-3-2-7-27-24(20)29(21(19)13-28)12-17-10-22(26)33-14-17/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542078 (CHEMBL4634704) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232954 (US9353113, 6(63) | US9862721, 6(63)) Show SMILES Cc1nc(sc1Cn1c2CN(CCc2c2cccnc12)C(=O)C[C@H]1CC[C@@](C)(C(O)=O)C1(C)C)C(F)(F)F Show InChI InChI=1S/C27H31F3N4O3S/c1-15-20(38-23(32-15)27(28,29)30)14-34-19-13-33(11-8-17(19)18-6-5-10-31-22(18)34)21(35)12-16-7-9-26(4,24(36)37)25(16,2)3/h5-6,10,16H,7-9,11-14H2,1-4H3,(H,36,37)/t16-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232954 (US9353113, 6(63) | US9862721, 6(63)) Show SMILES Cc1nc(sc1Cn1c2CN(CCc2c2cccnc12)C(=O)C[C@H]1CC[C@@](C)(C(O)=O)C1(C)C)C(F)(F)F Show InChI InChI=1S/C27H31F3N4O3S/c1-15-20(38-23(32-15)27(28,29)30)14-34-19-13-33(11-8-17(19)18-6-5-10-31-22(18)34)21(35)12-16-7-9-26(4,24(36)37)25(16,2)3/h5-6,10,16H,7-9,11-14H2,1-4H3,(H,36,37)/t16-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542077 (CHEMBL4634102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H29F2N3O3/c29-19-4-3-18(22(30)14-19)16-33-23-17-32(13-5-20(23)21-2-1-12-31-25(21)33)24(34)15-27-6-9-28(10-7-27,11-8-27)26(35)36/h1-4,12,14H,5-11,13,15-17H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232963 (US9353113, 11(24) | US9862721, 11(24)) Show SMILES COc1cc(CC(=O)N2CCc3c(C2)n(Cc2sc(nc2C)C(F)(F)F)c2ncccc32)cc(OC)c1C(O)=O Show InChI InChI=1S/C27H25F3N4O5S/c1-14-21(40-26(32-14)27(28,29)30)13-34-18-12-33(8-6-16(18)17-5-4-7-31-24(17)34)22(35)11-15-9-19(38-2)23(25(36)37)20(10-15)39-3/h4-5,7,9-10H,6,8,11-13H2,1-3H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232963 (US9353113, 11(24) | US9862721, 11(24)) Show SMILES COc1cc(CC(=O)N2CCc3c(C2)n(Cc2sc(nc2C)C(F)(F)F)c2ncccc32)cc(OC)c1C(O)=O Show InChI InChI=1S/C27H25F3N4O5S/c1-14-21(40-26(32-14)27(28,29)30)13-34-18-12-33(8-6-16(18)17-5-4-7-31-24(17)34)22(35)11-15-9-19(38-2)23(25(36)37)20(10-15)39-3/h4-5,7,9-10H,6,8,11-13H2,1-3H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196692 (CHEMBL388516 | N-(1-(4-methylbenzyl)piperidin-3-yl...) Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542077 (CHEMBL4634102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H29F2N3O3/c29-19-4-3-18(22(30)14-19)16-33-23-17-32(13-5-20(23)21-2-1-12-31-25(21)33)24(34)15-27-6-9-28(10-7-27,11-8-27)26(35)36/h1-4,12,14H,5-11,13,15-17H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155279 (US9006246, 12(42) | US9636330, 12(42)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(Cl)s1)c1ncccc21)C(O)=O Show InChI InChI=1S/C23H26ClN3O3S/c1-23(2,22(29)30)10-3-6-20(28)26-12-9-16-17-5-4-11-25-21(17)27(18(16)14-26)13-15-7-8-19(24)31-15/h4-5,7-8,11H,3,6,9-10,12-14H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155279 (US9006246, 12(42) | US9636330, 12(42)) Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(Cl)s1)c1ncccc21)C(O)=O Show InChI InChI=1S/C23H26ClN3O3S/c1-23(2,22(29)30)10-3-6-20(28)26-12-9-16-17-5-4-11-25-21(17)27(18(16)14-26)13-15-7-8-19(24)31-15/h4-5,7-8,11H,3,6,9-10,12-14H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232953 (US9353113, 6(53) | US9862721, 6(53)) Show SMILES CC1(C)[C@@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(cc2)C(F)(F)F)c2ncccc32)CC[C@@]1(C)C(O)=O Show InChI InChI=1S/C29H32F3N3O3/c1-27(2)20(10-12-28(27,3)26(37)38)15-24(36)34-14-11-21-22-5-4-13-33-25(22)35(23(21)17-34)16-18-6-8-19(9-7-18)29(30,31)32/h4-9,13,20H,10-12,14-17H2,1-3H3,(H,37,38)/t20-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196690 (CHEMBL224535 | N-(1-(4-aminobenzyl)piperidin-3-yl)...) Show SMILES Nc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C19H23N5/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13,20H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196695 (CHEMBL224510 | N-(1-(3,4-difluorobenzyl)piperidin-...) Show SMILES Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1F Show InChI InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196711 (1-benzyl-3-piperidyl-(1H-5-indazolyl)ether | 5-(1-...) Show SMILES C(N1CCCC(C1)Oc1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N3O/c1-2-5-15(6-3-1)13-22-10-4-7-18(14-22)23-17-8-9-19-16(11-17)12-20-21-19/h1-3,5-6,8-9,11-12,18H,4,7,10,13-14H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232953 (US9353113, 6(53) | US9862721, 6(53)) Show SMILES CC1(C)[C@@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(cc2)C(F)(F)F)c2ncccc32)CC[C@@]1(C)C(O)=O Show InChI InChI=1S/C29H32F3N3O3/c1-27(2)20(10-12-28(27,3)26(37)38)15-24(36)34-14-11-21-22-5-4-13-33-25(22)35(23(21)17-34)16-18-6-8-19(9-7-18)29(30,31)32/h4-9,13,20H,10-12,14-17H2,1-3H3,(H,37,38)/t20-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542080 (CHEMBL4649390) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H28FN3O3/c28-19-5-3-18(4-6-19)15-31-22-16-30(13-7-20(22)21-2-1-12-29-24(21)31)23(32)14-26-8-10-27(17-26,11-9-26)25(33)34/h1-6,12H,7-11,13-17H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155303 (US9006246, 31(127) | US9636330, 31(127)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3cccc(F)c3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30FN3O3/c29-20-4-1-3-19(15-20)17-32-23-18-31(14-6-21(23)22-5-2-13-30-25(22)32)24(33)16-27-7-10-28(11-8-27,12-9-27)26(34)35/h1-5,13,15H,6-12,14,16-18H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155306 (US9006246, 31(140) | US9636330, 31(140)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(Cl)cc3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30ClN3O3/c29-20-5-3-19(4-6-20)17-32-23-18-31(15-7-21(23)22-2-1-14-30-25(22)32)24(33)16-27-8-11-28(12-9-27,13-10-27)26(34)35/h1-6,14H,7-13,15-18H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196682 (CHEMBL426925 | N-(1-(4-chlorobenzyl)piperidin-3-yl...) Show SMILES Clc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196689 (CHEMBL224166 | N-(1-((1H-pyrrol-2-yl)methyl)piperi...) Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc[nH]1 Show InChI InChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155303 (US9006246, 31(127) | US9636330, 31(127)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3cccc(F)c3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30FN3O3/c29-20-4-1-3-19(15-20)17-32-23-18-31(14-6-21(23)22-5-2-13-30-25(22)32)24(33)16-27-7-10-28(11-8-27,12-9-27)26(34)35/h1-5,13,15H,6-12,14,16-18H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155306 (US9006246, 31(140) | US9636330, 31(140)) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(Cl)cc3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30ClN3O3/c29-20-5-3-19(4-6-20)17-32-23-18-31(15-7-21(23)22-2-1-14-30-25(22)32)24(33)16-27-8-11-28(12-9-27,13-10-27)26(34)35/h1-6,14H,7-13,15-18H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9636330 (2017) BindingDB Entry DOI: 10.7270/Q2T72KH0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542078 (CHEMBL4634704) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232959 (US9353113, 9(1) | US9862721, 9(1)) Show SMILES OC(=O)C1(CCCC(=O)N2CCc3c(C2)n(Cc2ccc(s2)C(F)(F)F)c2ncccc32)CC1 Show InChI InChI=1S/C24H24F3N3O3S/c25-24(26,27)19-6-5-15(34-19)13-30-18-14-29(12-7-16(18)17-3-2-11-28-21(17)30)20(31)4-1-8-23(9-10-23)22(32)33/h2-3,5-6,11H,1,4,7-10,12-14H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232959 (US9353113, 9(1) | US9862721, 9(1)) Show SMILES OC(=O)C1(CCCC(=O)N2CCc3c(C2)n(Cc2ccc(s2)C(F)(F)F)c2ncccc32)CC1 Show InChI InChI=1S/C24H24F3N3O3S/c25-24(26,27)19-6-5-15(34-19)13-30-18-14-29(12-7-16(18)17-3-2-11-28-21(17)30)20(31)4-1-8-23(9-10-23)22(32)33/h2-3,5-6,11H,1,4,7-10,12-14H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q25T3NSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542079 (CHEMBL4647102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H30FN3O3/c29-20-5-3-19(4-6-20)17-32-23-18-31(15-7-21(23)22-2-1-14-30-25(22)32)24(33)16-27-8-11-28(12-9-27,13-10-27)26(34)35/h1-6,14H,7-13,15-18H2,(H,34,35)	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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020) Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM155310 (US9006246, 31(169) | US9636330, 31(169)) Show SMILES CC1(C)[C@@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)c(Cl)c2)c2ncccc32)CC[C@@]1(C)C(O)=O |r| Show InChI InChI=1S/C28H31ClFN3O3/c1-27(2)18(8-10-28(27,3)26(35)36)14-24(34)32-12-9-19-20-5-4-11-31-25(20)33(23(19)16-32)15-17-6-7-22(30)21(29)13-17/h4-7,11,13,18H,8-10,12,14-16H2,1-3H3,(H,35,36)/t18-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	9.0	n/a
Ono Pharmaceutical Co., Ltd. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9006246 (2015) BindingDB Entry DOI: 10.7270/Q2SJ1JBR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50196707 (CHEMBL390837 | N-(1-(2-chlorobenzyl)piperidin-3-yl...) Show SMILES Clc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Rho kinase				Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5
					More data for this Ligand-Target Pair

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