Compile Data Set for Download or QSAR

Found 1051 hits with Last Name = 'billedeau' and Initial = 'rj'   

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))	BDBM511228 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES CCCN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511078 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES COCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511224 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(C)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122415 (US8729078, I-25) Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1 Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122417 (US8729078, I-27) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511079 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccc[nH]c2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511225 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES CN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122442 (US8729078, I-53) Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1 Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511215 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(isopropylamino)-9...) Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(CCO)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511232 (2-(((2R,3S,4R,5R)-5-(5-chloro-7-((2,4-dimethoxyben...) Show SMILES COc1ccc(CNc2cc(Cl)nc3n(cnc23)[C@@H]2O[C@H](COC(Cc3ccc(cc3)N3CCCNC3=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]2O)c(OC)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511214 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-((cyclopropylmethy...) Show SMILES OCCN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(NCC4CC4)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511226 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-((cyclopropylmethy...) Show SMILES CN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(NCC4CC4)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511076 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122428 (US8729078, I-38) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C29H28FN7O5S/c1-29(2,3)17-10-16-12-33-37(28(40)25(16)21(30)11-17)23-7-5-6-22(20(23)15-38)36-14-19(26(31)39)27(35-36)34-24-9-8-18(13-32-24)43(4,41)42/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122429 (US8729078, I-39) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1 Show InChI InChI=1S/C29H25FN8O3/c1-29(2,3)18-9-17-13-34-38(28(41)25(17)21(30)10-18)23-6-4-5-22(20(23)15-39)37-14-19(26(32)40)27(36-37)35-24-8-7-16(11-31)12-33-24/h4-10,12-14,39H,15H2,1-3H3,(H2,32,40)(H,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122414 (US8729078, I-24) Show SMILES CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C35H39FN8O4/c1-34(2,3)22-14-21-16-39-44(33(47)30(21)26(36)15-22)28-9-6-8-27(25(28)19-45)43-18-24(31(37)46)32(41-43)40-29-11-10-23(17-38-29)48-35(4,5)20-42-12-7-13-42/h6,8-11,14-18,45H,7,12-13,19-20H2,1-5H3,(H2,37,46)(H,38,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511089 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES CCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511125 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccccc2C(O)=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511088 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES CCCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122418 (US8729078, I-28) Show SMILES Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1 Show InChI InChI=1S/C27H27FN8O3/c1-27(2,3)16-10-15-12-30-36(26(39)23(15)19(28)11-16)21-7-5-6-20(18(21)14-37)35-13-17(24(29)38)25(33-35)31-22-8-9-34(4)32-22/h5-13,37H,14H2,1-4H3,(H2,29,38)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511217 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1C[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122423 (US8729078, I-33) Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C29H28FN7O3/c1-16-8-9-24(32-12-16)34-27-19(26(31)39)14-36(35-27)22-6-5-7-23(20(22)15-38)37-28(40)25-17(13-33-37)10-18(11-21(25)30)29(2,3)4/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122420 (US8729078, I-30) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25F2N7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511212 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-((cyclopropylmethy...) Show SMILES O[C@H]1[C@@H](O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@]1(O)C#C)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511227 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(isopropylamino)-9...) Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(C)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511077 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCCC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122421 (US8729078, I-31) Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H29FN8O3/c1-15-9-23(33-35(15)5)32-26-18(25(30)39)13-36(34-26)21-7-6-8-22(19(21)14-38)37-27(40)24-16(12-31-37)10-17(11-20(24)29)28(2,3)4/h6-13,38H,14H2,1-5H3,(H2,30,39)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511216 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(isopropylamino)-9...) Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122413 (US8729078, I-23) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25ClFN7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511124 (2-([1,1′-biphenyl]-4-ylmethyl)-2-(((2R,3S,4R...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccccc2)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511168 (2-benzyl-2-(((2R,3S,4R,5R)-5-(2-chloro-6-(cyclopen...) Show SMILES O[C@H]1[C@@H](O[C@H](COC(Cc2ccccc2)C(O)=O)[C@]1(O)C#C)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511142 (2-benzyl-2-(((2R,3S,4R,5R)-5-(2-chloro-6-(ethyl(me...) Show SMILES CCN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511080 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(-c3ccccc3)c(c2)C(O)=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511090 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2cccn(CCO)c2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511087 (2-benzyl-2-(((2R,3S,4R,5R)-5-(2-chloro-6-(thiophen...) Show SMILES O[C@H]1[C@@H](O[C@H](COC(Cc2ccccc2)(C(O)=O)C(O)=O)[C@]1(O)C#C)n1cnc2c(nc(Cl)nc12)-c1cccs1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511091 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES COc1ncccc1-c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511236 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...) Show SMILES CCCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(NC)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511213 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(CCO)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122416 (US8729078, I-26) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1 Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-11-16-13-32-36(27(39)24(16)20(29)12-17)22-8-6-7-21(19(22)15-37)35-14-18(25(30)38)26(34-35)33-23-9-4-5-10-31-23/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511207 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...) Show SMILES CCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(NC)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511233 (2-(((2R,3S,4R,5R)-5-(7-amino-5-chloro-3H-imidazo[4...) Show SMILES Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122444 (US8729078, I-55) Show SMILES CN(C)Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C31H34N8O3/c1-31(2,3)21-10-11-22-20(13-21)15-34-39(30(22)42)26-8-6-7-25(24(26)18-40)38-17-23(28(32)41)29(36-38)35-27-12-9-19(14-33-27)16-37(4)5/h6-15,17,40H,16,18H2,1-5H3,(H2,32,41)(H,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511158 (2-benzyl-2-(((2R,3S,4R,5R)-5-(2-chloro-6-(cyclobut...) Show SMILES CN(C1CCC1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt 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 For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511222 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES COCCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511238 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Cn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122419 (US8729078, I-29) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1 Show InChI InChI=1S/C27H25FN8O3/c1-27(2,3)16-9-15-11-32-36(26(39)23(15)19(28)10-16)21-6-4-5-20(18(21)14-37)35-13-17(24(29)38)25(34-35)33-22-12-30-7-8-31-22/h4-13,37H,14H2,1-3H3,(H2,29,38)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511229 (2-(((2R,3S,4R,5R)-5-(2-chloro-6-(isopropylamino)-9...) Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2cccn(CCO)c2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511070 (2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)(C(O)=O)C(O)=O)[C@](O)(C#CC2CC2)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt 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 For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM511118 (2-benzyl-2-(((2R,3S,4R,5R)-5-(2-chloro-6-((3-hydro...) Show SMILES CN(C1CC(O)C1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r,wU:19.22,17.19,36.41,wD:36.40,40.45,(2.99,3.68,;4.33,2.91,;5.66,3.68,;7.15,3.29,;7.55,4.77,;8.88,5.54,;6.06,5.17,;4.33,1.37,;5.66,.6,;5.66,-.94,;6.99,-1.71,;4.33,-1.71,;2.99,-.94,;1.53,-1.41,;.62,-.17,;1.53,1.08,;2.99,.6,;.76,-2.75,;-.49,-1.84,;-1.73,-2.75,;-2.5,-1.41,;-4.04,-1.41,;-4.81,-.08,;-5.21,-1.57,;-6.3,-2.65,;-7.79,-2.26,;-8.88,-3.34,;-8.48,-4.83,;-6.99,-5.23,;-5.9,-4.14,;-6.35,-.08,;-7.12,-1.41,;-7.12,1.26,;-4.04,1.26,;-2.5,1.26,;-4.81,2.59,;-1.26,-4.21,;-2.03,-5.54,;-2.75,-3.81,;-4.23,-3.41,;.28,-4.21,;1.05,-5.54,)| Show InChI	PDB UniProtKB/SwissProt 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 For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2M9D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122424 (US8729078, I-34) Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H30N8O3/c1-16-11-24(32-34(16)5)31-26-20(25(29)38)14-35(33-26)22-7-6-8-23(21(22)15-37)36-27(39)19-10-9-18(28(2,3)4)12-17(19)13-30-36/h6-14,37H,15H2,1-5H3,(H2,29,38)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair

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