Compile Data Set for Download or QSAR

Found 25 hits of ic50 for UniProtKB: P49961   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50546288 (CHEMBL4743437) Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CD39 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00525 BindingDB Entry DOI: 10.7270/Q29W0K29
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50546280 (CHEMBL4761506) 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)c1ccc(F)cc1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CD39 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00525 BindingDB Entry DOI: 10.7270/Q29W0K29
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (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	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CD39 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00525 BindingDB Entry DOI: 10.7270/Q29W0K29
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50552128 (CHEMBL4787368) Show SMILES OS(=O)(=O)C1=CC\C(=N/C(=O)C2=C\C(C=CC2)=N\C(=O)C2=CC=C\C(C2)=N/C(=O)/N=C2/CC(=CC=C2)C(=O)\N=C2\CC(=CC=C2)C(=O)\N=C2/CC=C(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c2c1cc(cc2S(O)(=O)=O)S(O)(=O)=O |c:14,23,34,36,44,46,54,t:4,11,21| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malac...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50010311 (CHEMBL2364580) Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H24N5O13P3S/c1-2-3-4-36-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Malachite ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50561221 (CHEMBL4745473 | US11377469, Example 95) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 expressed in CHO cells incubated for 4 hrs before addition of AMP and further incubated for 60 mins by colorimetric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01835 BindingDB Entry DOI: 10.7270/Q2NG4VF1
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malac...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50527649 (CHEMBL4467828) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human CD39 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 min...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50187685 (CHEMBL597418) Show SMILES [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc3ccccc3c3ccccc23)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human NTPDase1 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method				Bioorg Med Chem 24: 4363-4371 (2016) Article DOI: 10.1016/j.bmc.2016.07.027 BindingDB Entry DOI: 10.7270/Q2GQ70Q8
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50552126 (CHEMBL4797422) Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Malachite ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50552127 (CHEMBL4750781) Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Malachite ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01044 BindingDB Entry DOI: 10.7270/Q2B27ZZ6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276788 (CHEMBL4162261) Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F Show InChI InChI=1S/C18H12BrClF3NO2/c1-25-9-6-7-13(26-2)12(8-9)10-4-3-5-11-15(20)14(19)17(18(21,22)23)24-16(10)11/h3-8H,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276790 (CHEMBL4174849) Show SMILES COc1ccc(cc1)-c1cccc2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(nc12)C(F)(F)F Show InChI InChI=1S/C31H24F3NO3/c1-36-22-13-7-19(8-14-22)25-5-4-6-26-27(20-9-15-23(37-2)16-10-20)28(21-11-17-24(38-3)18-12-21)30(31(32,33)34)35-29(25)26/h4-18H,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276786 (CHEMBL4172790) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F Show InChI InChI=1S/C17H7BrClF6N/c18-12-13(19)11-3-1-2-10(14(11)26-15(12)17(23,24)25)8-4-6-9(7-5-8)16(20,21)22/h1-7H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276794 (CHEMBL4161473) Show SMILES FC(F)(F)c1nc2c(cccc2c(Cl)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H13ClF3N/c23-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)27-21(22(24,25)26)18(19)15-10-5-2-6-11-15/h1-13H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276791 (CHEMBL4164891) Show SMILES FC(F)(F)c1nc2c(cccc2c(Cl)c1Br)-c1cccc(c1)C#N Show InChI InChI=1S/C17H7BrClF3N2/c18-13-14(19)12-6-2-5-11(10-4-1-3-9(7-10)8-23)15(12)24-16(13)17(20,21)22/h1-7H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276780 (CHEMBL4172933) Show SMILES COc1ccc(cc1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F Show InChI InChI=1S/C17H10BrClF3NO/c1-24-10-7-5-9(6-8-10)11-3-2-4-12-14(19)13(18)16(17(20,21)22)23-15(11)12/h2-8H,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276787 (CHEMBL4173693) Show SMILES Cc1ccc(cc1)-c1cccc2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(nc12)C(F)(F)F Show InChI InChI=1S/C31H24F3N/c1-19-7-13-22(14-8-19)25-5-4-6-26-27(23-15-9-20(2)10-16-23)28(24-17-11-21(3)12-18-24)30(31(32,33)34)35-29(25)26/h4-18H,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276789 (CHEMBL4175913) Show SMILES FC(F)(F)c1[nH]c2c(Br)cccc2c(=O)c1Br Show InChI InChI=1S/C10H4Br2F3NO/c11-5-3-1-2-4-7(5)16-9(10(13,14)15)6(12)8(4)17/h1-3H,(H,16,17)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276784 (CHEMBL4159530) Show SMILES FC(F)(F)c1nc2c(Br)cccc2c(Cl)c1Br Show InChI InChI=1S/C10H3Br2ClF3N/c11-5-3-1-2-4-7(13)6(12)9(10(14,15)16)17-8(4)5/h1-3H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276782 (CHEMBL4165654) Show SMILES FC(F)(F)c1nc2c(cccc2c(Cl)c1Br)-c1ccsc1 Show InChI InChI=1S/C14H6BrClF3NS/c15-10-11(16)9-3-1-2-8(7-4-5-21-6-7)12(9)20-13(10)14(17,18)19/h1-6H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276785 (CHEMBL4164185) Show SMILES Fc1ccc(cc1)-c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(nc12)C(F)(F)F Show InChI InChI=1S/C28H15F6N/c29-19-10-4-16(5-11-19)22-2-1-3-23-24(17-6-12-20(30)13-7-17)25(18-8-14-21(31)15-9-18)27(28(32,33)34)35-26(22)23/h1-15H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276783 (CHEMBL4169839) Show SMILES FC(F)(F)c1nc2c(cccc2c(-c2ccccc2)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H18F3N/c29-28(30,31)27-25(21-15-8-3-9-16-21)24(20-13-6-2-7-14-20)23-18-10-17-22(26(23)32-27)19-11-4-1-5-12-19/h1-18H	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human))	BDBM50276781 (CHEMBL4159729) Show SMILES Cc1cccc(c1)-c1cccc2c(-c3cccc(C)c3)c(-c3cccc(C)c3)c(nc12)C(F)(F)F Show InChI InChI=1S/C31H24F3N/c1-19-8-4-11-22(16-19)25-14-7-15-26-27(23-12-5-9-20(2)17-23)28(24-13-6-10-21(3)18-24)30(31(32,33)34)35-29(25)26/h4-18H,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...				Eur J Med Chem 138: 816-829 (2017) Article DOI: 10.1016/j.ejmech.2017.07.017 BindingDB Entry DOI: 10.7270/Q20R9RXT
					More data for this Ligand-Target Pair