Compile Data Set for Download or QSAR

Found 434 hits with Last Name = 'jain' 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50029257 ((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin)				Bioorg Med Chem 16: 4759-800 (2008) Article DOI: 10.1016/j.bmc.2008.02.091 BindingDB Entry DOI: 10.7270/Q2DV1JPX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50270453 ((R)-4-(3-(2-amino-4-(4-fluorophenyl)thiazol-5-yl)p...) Show SMILES Nc1nc(c(s1)[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H23F2N3OS/c24-18-7-3-15(4-8-18)20(29)2-1-12-28-13-11-17(14-28)22-21(27-23(26)30-22)16-5-9-19(25)10-6-16/h3-10,17H,1-2,11-14H2,(H2,26,27)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to 5HT2A (unknown origin)				Bioorg Med Chem 16: 4759-800 (2008) Article DOI: 10.1016/j.bmc.2008.02.091 BindingDB Entry DOI: 10.7270/Q2DV1JPX
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523511 (CHEMBL4443977) Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523526 (CHEMBL3606064) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523510 (CHEMBL4483379) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O |r| Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523526 (CHEMBL3606064) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523510 (CHEMBL4483379) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O |r| Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523527 (CHEMBL4443094) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O |r| Show InChI InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523527 (CHEMBL4443094) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O |r| Show InChI InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523511 (CHEMBL4443977) Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523529 (CHEMBL4551648) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O |r| Show InChI InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523511 (CHEMBL4443977) Show SMILES Cn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H25N3O11P2/c1-20-14(19-30-9-12-5-3-2-4-6-12)7-8-21(18(20)24)17-16(23)15(22)13(32-17)10-31-34(28,29)11-33(25,26)27/h2-8,13,15-17,22-23H,9-11H2,1H3,(H,28,29)(H2,25,26,27)/b19-14+/t13-,15-,16-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523510 (CHEMBL4483379) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O |r| Show InChI InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523529 (CHEMBL4551648) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O |r| Show InChI InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523526 (CHEMBL3606064) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523528 (CHEMBL4470616) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as su...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50523528 (CHEMBL4470616) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523527 (CHEMBL4443094) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O |r| Show InChI InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523529 (CHEMBL4551648) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O |r| Show InChI InChI=1S/C18H22F3N3O10P2/c19-18(20,21)12-3-1-11(2-4-12)8-32-23-15-5-6-24(17(26)22-15)16-7-13(25)14(34-16)9-33-36(30,31)10-35(27,28)29/h1-6,13-14,16,25H,7-10H2,(H,30,31)(H,22,23,26)(H2,27,28,29)/t13-,14+,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50029257 ((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1B receptor (unknown origin)				Bioorg Med Chem 16: 4759-800 (2008) Article DOI: 10.1016/j.bmc.2008.02.091 BindingDB Entry DOI: 10.7270/Q2DV1JPX
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523528 (CHEMBL4470616) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(F)\c(=N/OCc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H22FN3O11P2/c18-11-6-21(17(24)19-15(11)20-30-7-10-4-2-1-3-5-10)16-14(23)13(22)12(32-16)8-31-34(28,29)9-33(25,26)27/h1-6,12-14,16,22-23H,7-9H2,(H,28,29)(H,19,20,24)(H2,25,26,27)/t12-,13-,14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523545 (CHEMBL4538320) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15ClN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523532 (CHEMBL4457058) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15BrN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523552 (CHEMBL4561816) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N4O9P2/c13-10-6-1-2-16(11(6)15-4-14-10)12-9(18)8(17)7(25-12)3-24-27(22,23)5-26(19,20)21/h1-2,4,7-9,12,17-18H,3,5H2,(H,22,23)(H2,13,14,15)(H2,19,20,21)/t7-,8-,9-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523521 (CHEMBL4299847) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H23N3O11P2/c21-14-12(9-30-33(27,28)10-32(24,25)26)31-16(15(14)22)20-7-6-13(18-17(20)23)19-29-8-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50319142 (5-Iodouridine5'-Methylenediphosphate Triethylammon...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15IN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM18136 (ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523547 (CHEMBL1198873) Show SMILES CO\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |r| Show InChI InChI=1S/C11H19N3O11P2/c1-23-13-7-2-3-14(11(17)12-7)10-9(16)8(15)6(25-10)4-24-27(21,22)5-26(18,19)20/h2-3,6,8-10,15-16H,4-5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523523 (CHEMBL4440236) Show SMILES CCn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H27N3O11P2/c1-2-21-15(20-31-10-13-6-4-3-5-7-13)8-9-22(19(21)25)18-17(24)16(23)14(33-18)11-32-35(29,30)12-34(26,27)28/h3-9,14,16-18,23-24H,2,10-12H2,1H3,(H,29,30)(H2,26,27,28)/b20-15+/t14-,16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523550 (CHEMBL4462889) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O11P2/c1-2-6-3-14(12(18)13-10(6)17)11-9(16)8(15)7(25-11)4-24-27(22,23)5-26(19,20)21/h1,3,7-9,11,15-16H,4-5H2,(H,22,23)(H,13,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523514 (CHEMBL4474742) Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]\c1=N\OCc1ccccc1 |r| Show InChI InChI=1S/C18H25N3O11P2/c1-11-7-21(18(24)19-16(11)20-30-8-12-5-3-2-4-6-12)17-15(23)14(22)13(32-17)9-31-34(28,29)10-33(25,26)27/h2-7,13-15,17,22-23H,8-10H2,1H3,(H,28,29)(H,19,20,24)(H2,25,26,27)/t13-,14-,15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523541 (CHEMBL3606109) Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H18N2O11P2/c1-5-2-13(11(17)12-9(5)16)10-8(15)7(14)6(24-10)3-23-26(21,22)4-25(18,19)20/h2,6-8,10,14-15H,3-4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523519 (CHEMBL4441328) Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16FN3O10P2/c11-4-1-14(10(17)13-8(4)12)9-7(16)6(15)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,15-16H,2-3H2,(H,21,22)(H2,12,13,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	349	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523533 (CHEMBL4574475) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(C(Cl)=C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H17ClN2O11P2/c1-5(13)6-2-15(12(19)14-10(6)18)11-9(17)8(16)7(26-11)3-25-28(23,24)4-27(20,21)22/h2,7-9,11,16-17H,1,3-4H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t7-,8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523543 (CHEMBL4436640) Show SMILES Nc1nc(=O)n(cc1I)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16IN3O10P2/c11-4-1-14(10(17)13-8(4)12)9-7(16)6(15)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,15-16H,2-3H2,(H,21,22)(H2,12,13,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Rattus norvegicus)	BDBM50213693 ((3S,5S,8R,9S,10S,13R,14R,17R)-5,13-dimethyl-17-((R...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C |w:13.12| Show InChI InChI=1S/C30H52O3/c1-20(2)7-6-8-21(3)24-12-15-29(18-23-19-33-23)25-10-13-27(4)17-22(31)9-16-30(27,32)26(25)11-14-28(24,29)5/h20-26,31-32H,6-19H2,1-5H3/t21-,22+,23?,24-,25-,26+,27+,28-,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat liver LDM				Bioorg Med Chem 15: 4674-99 (2007) Article DOI: 10.1016/j.bmc.2007.04.031 BindingDB Entry DOI: 10.7270/Q24J0FZ9
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523508 (CHEMBL4543740) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H18N2O10P2/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(23-9)4-22-25(20,21)5-24(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	639	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50569565 (CHEMBL4845850) Show SMILES [O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CCN1C(=O)c2ccccc2C1=O |t:3| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha2a adrenergic receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128008 BindingDB Entry DOI: 10.7270/Q2C2516Q
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523522 (CHEMBL4587157) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H23N3O10P2/c21-13-8-16(30-14(13)10-29-32(26,27)11-31(23,24)25)20-7-6-15(18-17(20)22)19-28-9-12-4-2-1-3-5-12/h1-7,13-14,16,21H,8-11H2,(H,26,27)(H,18,19,22)(H2,23,24,25)/t13-,14+,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50496771 (CHEMBL3220831) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	898	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50569557 (CHEMBL4856060) Show SMILES CC(C)(C)OC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:17| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha2a adrenergic receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128008 BindingDB Entry DOI: 10.7270/Q2C2516Q
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523553 (CHEMBL4516140) Show SMILES CCCn1c(=O)ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O |r| Show InChI InChI=1S/C13H22N2O11P2/c1-2-4-14-9(16)3-5-15(13(14)19)12-11(18)10(17)8(26-12)6-25-28(23,24)7-27(20,21)22/h3,5,8,10-12,17-18H,2,4,6-7H2,1H3,(H,23,24)(H2,20,21,22)/t8-,10-,11-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50569559 (CHEMBL4857492) Show SMILES OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:18| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha2b adrenergic receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128008 BindingDB Entry DOI: 10.7270/Q2C2516Q
					More data for this Ligand-Target Pair
ATP-citrate synthase (Homo sapiens (Human))	BDBM50066683 ((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...) Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human ATP citrate lyase				Bioorg Med Chem 15: 4674-99 (2007) Article DOI: 10.1016/j.bmc.2007.04.031 BindingDB Entry DOI: 10.7270/Q24J0FZ9
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523507 (CHEMBL4472287) Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N4O9P2/c13-6-1-2-14-11-8(6)15-4-16(11)12-10(18)9(17)7(25-12)3-24-27(22,23)5-26(19,20)21/h1-2,4,7,9-10,12,17-18H,3,5H2,(H2,13,14)(H,22,23)(H2,19,20,21)/t7-,9-,10-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523512 (CHEMBL4463295) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15FN2O10P2/c11-7-8(15)5(3-22-25(20,21)4-24(17,18)19)23-9(7)13-2-1-6(14)12-10(13)16/h1-2,5,7-9,15H,3-4H2,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523513 (CHEMBL4442307) Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C10H17N3O9P2/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(22-9)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,14H,3-5H2,(H,19,20)(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523516 (CHEMBL4558180) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8+,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523517 (CHEMBL4449088) Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)CCP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H20N2O11P2/c1-6-4-14(12(18)13-10(6)17)11-9(16)8(15)7(25-11)5-24-27(22,23)3-2-26(19,20)21/h4,7-9,11,15-16H,2-3,5H2,1H3,(H,22,23)(H,13,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50523518 (CHEMBL1198696) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...				J Med Chem 62: 3677-3695 (2019) Article DOI: 10.1021/acs.jmedchem.9b00164 BindingDB Entry DOI: 10.7270/Q2M61PNF
					More data for this Ligand-Target Pair

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