Compile Data Set for Download or QSAR

Found 3929 hits with Last Name = 'pinkerton' and Initial = 'a'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to sigma-1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-HT3 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to PBR receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Mus musculus)	BDBM50447413 (CHEMBL3115157) Show SMILES Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as subst...				Bioorg Med Chem Lett 24: 1000-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.043 BindingDB Entry DOI: 10.7270/Q2ST7RB8
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of MOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50444943 (CHEMBL3099773) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50444943 (CHEMBL3099773) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-neurotensin from NTR1 in HUVEC after 1 hr by gamma counting analysis				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-neurotensin from NTR1 (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508497 (5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...) Show SMILES O[C@H]1CCN2[C@H]1COc1ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc1C2=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508496 (5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3[C@@H](O)CCN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508500 (5-chloro-2-methoxy-N-[(8S,9aR)-8-methoxy-5-oxo-8,9...) Show SMILES CO[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508503 (US11046710, Example 50 | methyl [(8R,9aR)-3-{[(5-c...) Show SMILES COC(=O)N[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508502 ((8S,9aR)-3-{[(5-chloro-2-methoxyphenyl)sulfonyl]am...) Show SMILES COC(=O)N[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508512 (2-ethoxy-5-fluoro-N-[(10aS)-7-oxo-7,8,10a,11-tetra...) Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3COC(=O)CN3Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275100 (US10221195, Example 42 | US9879032, Example 42) Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C18H18FN3O5S/c1-2-26-14-4-3-11(19)7-15(14)28(24,25)22-12-8-13-16(23)21-18(5-6-18)10-27-17(13)20-9-12/h3-4,7-9,22H,2,5-6,10H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275100 (US10221195, Example 42 | US9879032, Example 42) Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C18H18FN3O5S/c1-2-26-14-4-3-11(19)7-15(14)28(24,25)22-12-8-13-16(23)21-18(5-6-18)10-27-17(13)20-9-12/h3-4,7-9,22H,2,5-6,10H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508498 (5-chloro-N-[(8S,9aR)-8-fluoro-5-oxo-8,9,9a,10-tetr...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](F)CN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508489 (US11046710, Example 32) Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508487 (US11046710, Example 30) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508491 (US11046710, Example 35) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275101 (US10221195, Example 43 | US9879032, Example 43) Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C18H19N3O6S/c1-26-14-3-2-11(9-22)6-15(14)28(24,25)21-12-7-13-16(23)20-18(4-5-18)10-27-17(13)19-8-12/h2-3,6-8,21-22H,4-5,9-10H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275101 (US10221195, Example 43 | US9879032, Example 43) Show SMILES COc1ccc(CO)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C18H19N3O6S/c1-26-14-3-2-11(9-22)6-15(14)28(24,25)21-12-7-13-16(23)20-18(4-5-18)10-27-17(13)19-8-12/h2-3,6-8,21-22H,4-5,9-10H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275093 (US10221195, Example 40 | US9879032, Example 35) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C17H16ClN3O5S/c1-25-13-3-2-10(18)6-14(13)27(23,24)21-11-7-12-15(22)20-17(4-5-17)9-26-16(12)19-8-11/h2-3,6-8,21H,4-5,9H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508506 (US11046710, Example 54) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3C[C@H](O)C(=O)N3Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275093 (US10221195, Example 40 | US9879032, Example 35) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC3(CC3)NC(=O)c2c1 Show InChI InChI=1S/C17H16ClN3O5S/c1-25-13-3-2-10(18)6-14(13)27(23,24)21-11-7-12-15(22)20-17(4-5-17)9-26-16(12)19-8-11/h2-3,6-8,21H,4-5,9H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275087 (US10221195, Example 29 | US9879032, Example 29) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r| Show InChI InChI=1S/C16H16BrN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508485 (US11046710, Example 28) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3CCCN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508488 (US11046710, Example 31) Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275087 (US10221195, Example 29 | US9879032, Example 29) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r| Show InChI InChI=1S/C16H16BrN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275067 (US10221195, Example 9 | US9879032, Example 13 | US...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1 Show InChI InChI=1S/C15H14ClN3O5S/c1-23-12-3-2-9(16)6-13(12)25(21,22)19-10-7-11-14(20)17-4-5-24-15(11)18-8-10/h2-3,6-8,19H,4-5H2,1H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275067 (US10221195, Example 9 | US9879032, Example 13 | US...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCCNC(=O)c2c1 Show InChI InChI=1S/C15H14ClN3O5S/c1-23-12-3-2-9(16)6-13(12)25(21,22)19-10-7-11-14(20)17-4-5-24-15(11)18-8-10/h2-3,6-8,19H,4-5H2,1H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508513 (US11046710, Example 63) Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CNC(=O)CN3Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508510 (5-chloro-2-methoxy-N-[(10aS)-7-oxo-7,8,9,10,10a, 1...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CCCC(=O)N3Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508507 (5-chloro-N-[(8S,9aS)-8-hydroxy-7-oxo-8,9,9a,10-tet...) Show SMILES O[C@H]1C[C@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3CN2C1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508493 (US11046710, Example 37) Show SMILES O[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275102 (US10221195, Example 44 | US9879032, Example 44) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)c1cccnc1 Show InChI InChI=1S/C20H17ClN4O5S/c1-29-17-5-4-13(21)7-18(17)31(27,28)25-14-8-15-19(26)24-16(11-30-20(15)23-10-14)12-3-2-6-22-9-12/h2-10,16,25H,11H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275102 (US10221195, Example 44 | US9879032, Example 44) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OCC(NC(=O)c2c1)c1cccnc1 Show InChI InChI=1S/C20H17ClN4O5S/c1-29-17-5-4-13(21)7-18(17)31(27,28)25-14-8-15-19(26)24-16(11-30-20(15)23-10-14)12-3-2-6-22-9-12/h2-10,16,25H,11H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508492 (US11046710, Example 36) Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275085 (US10221195, Example 27 | US9879032, Example 27) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r| Show InChI InChI=1S/C16H16ClN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275085 (US10221195, Example 27 | US9879032, Example 27) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H](CO)NC(=O)c2c1 |r| Show InChI InChI=1S/C16H16ClN3O6S/c1-25-13-3-2-9(17)4-14(13)27(23,24)20-10-5-12-15(22)19-11(7-21)8-26-16(12)18-6-10/h2-6,11,20-21H,7-8H2,1H3,(H,19,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508501 ((8S,9aR)-3-({[5-chloro-2-(trifluoromethoxy)phenyl]...) Show SMILES CC(=O)O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM508490 (US11046710, Example 34) Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(F)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NZ8BSN
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275089 (US10221195, Example 31 | US9879032, Example 31) Show SMILES OC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2C(=O)N1 |r| Show InChI InChI=1S/C16H13ClF3N3O6S/c17-8-1-2-12(29-16(18,19)20)13(3-8)30(26,27)23-9-4-11-14(25)22-10(6-24)7-28-15(11)21-5-9/h1-5,10,23-24H,6-7H2,(H,22,25)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275089 (US10221195, Example 31 | US9879032, Example 31) Show SMILES OC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc2C(=O)N1 |r| Show InChI InChI=1S/C16H13ClF3N3O6S/c17-8-1-2-12(29-16(18,19)20)13(3-8)30(26,27)23-9-4-11-14(25)22-10(6-24)7-28-15(11)21-5-9/h1-5,10,23-24H,6-7H2,(H,22,25)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...				US Patent US10221195 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2D83
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM275083 (US10221195, Example 25 | US9879032, Example 25) Show SMILES CC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)N1 |r| Show InChI InChI=1S/C17H18ClN3O5S/c1-3-11-9-26-17-13(16(22)20-11)7-12(8-19-17)21-27(23,24)15-6-10(18)4-5-14(15)25-2/h4-8,11,21H,3,9H2,1-2H3,(H,20,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	25
Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute US Patent					Assay Description COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...				US Patent US9879032 (2018) BindingDB Entry DOI: 10.7270/Q2F76FKB
					More data for this Ligand-Target Pair

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