Compile Data Set for Download or QSAR

Found 3153 hits with Last Name = 'renn' and Initial = 'c'   

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
5'-nucleotidase (Homo sapiens (Human))	BDBM50527134 (CHEMBL4471306 | US20230295213, Compound a) Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r| Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171884 (4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...) Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24| Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.381	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.746	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat CD73 expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.746	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50174361 (CHEMBL370606 | L-888607 | [(S)-9-(4-Chloro-phenyls...) Show SMILES OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1ccc(F)cc21 Show InChI InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human CRTH2 receptor expressed in CHO cells				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171886 (4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25| Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561892 (CHEMBL4795486) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCCCCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527131 (CHEMBL4585872) Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171888 (4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}...) Show SMILES Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23| Show InChI InChI=1S/C22H26ClN3O3/c23-17-3-1-4-18(14-17)25-10-8-24(9-11-25)7-2-12-29-26-21(27)19-15-5-6-16(13-15)20(19)22(26)28/h1,3-6,14-16,19-20H,2,7-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527131 (CHEMBL4585872) Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					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-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171887 (4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...) Show SMILES Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23| Show InChI InChI=1S/C22H26ClN3O3/c23-17-4-1-2-5-18(17)25-11-9-24(10-12-25)8-3-13-29-26-21(27)19-15-6-7-16(14-15)20(19)22(26)28/h1-2,4-7,15-16,19-20H,3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					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))	BDBM50527138 (CHEMBL4475460) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/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
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561892 (CHEMBL4795486) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCCCCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12 |r| Show InChI	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
TBA					Assay Description Inhibition of CD73 in human MDA-MB-231 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171885 (4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26| Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					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))	BDBM50527138 (CHEMBL4475460) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					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-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171890 (4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...) Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22| Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					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 (Homo sapiens (Human))	BDBM50561893 (CHEMBL4761798) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					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))	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 (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 (Rattus norvegicus (Rat))	BDBM50527131 (CHEMBL4585872) Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/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
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting metho...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527139 (CHEMBL4591580) Show SMILES NNc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H19N7O9P2/c12-8-5-9(16-11(15-8)17-13)18(2-14-5)10-7(20)6(19)4(27-10)1-26-29(24,25)3-28(21,22)23/h2,4,6-7,10,19-20H,1,3,13H2,(H,24,25)(H2,21,22,23)(H3,12,15,16,17)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50527139 (CHEMBL4591580) Show SMILES NNc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H19N7O9P2/c12-8-5-9(16-11(15-8)17-13)18(2-14-5)10-7(20)6(19)4(27-10)1-26-29(24,25)3-28(21,22)23/h2,4,6-7,10,19-20H,1,3,13H2,(H,24,25)(H2,21,22,23)(H3,12,15,16,17)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50174354 (CHEMBL373294 | [1-(2,5-Dichloro-benzenesulfonyl)-5...) Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H12Cl2FNO4S/c1-9-12(8-17(22)23)13-7-11(20)3-5-15(13)21(9)26(24,25)16-6-10(18)2-4-14(16)19/h2-7H,8H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human CRTH2 receptor expressed in CHO cells				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50527138 (CHEMBL4475460) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/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
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting metho...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527132 (CHEMBL4456465) Show SMILES Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561892 (CHEMBL4795486) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)C(=O)NCCCCCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)ncnc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat CD73 expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00391 BindingDB Entry DOI: 10.7270/Q2CF9TTM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171894 (4-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...) Show SMILES Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22| Show InChI InChI=1S/C21H24ClN3O3/c22-16-2-1-3-17(13-16)24-8-6-23(7-9-24)10-11-28-25-20(26)18-14-4-5-15(12-14)19(18)21(25)27/h1-5,13-15,18-19H,6-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50174357 (CHEMBL199040 | [1-(4-Chloro-benzenesulfonyl)-5-flu...) Show SMILES Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClFNO4S/c1-10-14(9-17(21)22)15-8-12(19)4-7-16(15)20(10)25(23,24)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human CRTH2 receptor expressed in CHO cells				J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B
					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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50171891 (4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-4-az...) Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6| Show InChI InChI=1S/C21H26N4O3/c26-20-18-15-5-6-16(14-15)19(18)21(27)25(20)28-13-3-8-23-9-11-24(12-10-23)17-4-1-2-7-22-17/h1-2,4-7,15-16,18-19H,3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527132 (CHEMBL4456465) Show SMILES Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
Bis(5'-adenosyl)-triphosphatase (Homo sapiens (Human))	BDBM81576 (AppppA analog, 6 (X=S)) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=S)OCC(O)COP([S-])(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C23H32N10O13P2S2/c24-18-12-20(28-5-26-18)32(7-30-12)22-16(37)14(35)10(45-22)3-43-47(39,49)41-1-9(34)2-42-48(40,50)44-4-11-15(36)17(38)23(46-11)33-8-31-13-19(25)27-6-29-21(13)33/h5-11,14-17,22-23,34-38H,1-4H2,(H,39,49)(H,40,50)(H2,24,26,28)(H2,25,27,29)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kimmel Cancer Center					Assay Description Inhibition assay using Fhit with ApppBODIPY.				BMC Chem Biol 1: 3 (2001) Article DOI: 10.1186/1472-6769-1-3 BindingDB Entry DOI: 10.7270/Q2445JZ9
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527142 (CHEMBL4462911) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H18N6O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527142 (CHEMBL4462911) Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H18N6O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)

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