Found 12 hits of ki 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)) | BDBM50552127
(CHEMBL4750781)Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | n/a | n/a | 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 Dixon and ... |
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
| 800 | n/a | n/a | 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 Cheng-Prus... |
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)) | 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| | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 900 | n/a | n/a | 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 Dixon and ... |
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)) | BDBM50307836
(CHEMBL608559 | Sodium 1-Amino-4-(2-anthracenylamin...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O Show InChI InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.59E+3 | 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 NTPdase1 by capillary electrophoresis method |
J Med Chem 53: 2076-86 (2010)
Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50268725
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.07E+4 | 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 NTPdase1 by capillary electrophoresis method |
J Med Chem 53: 2076-86 (2010)
Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50179358
(CHEMBL1206141)Show SMILES CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Competitive inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixo... |
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)) | BDBM50307835
(CHEMBL590956 | Sodium 1-amino-4-[4-fluoro-2-carbox...)Show SMILES Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H13FN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.00E+4 | 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 NTPdase1 by capillary electrophoresis method |
J Med Chem 53: 2076-86 (2010)
Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50262250
(4-[3-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimi...)Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC |r| Show InChI InChI=1S/C23H31N4O10P/c1-3-35-38(34,36-4-2)13-14-5-7-15(8-6-14)25-16(28)9-11-24-21(32)20-18(30)19(31)22(37-20)27-12-10-17(29)26-23(27)33/h5-8,10,12,18-20,22,30-31H,3-4,9,11,13H2,1-2H3,(H,24,32)(H,25,28)(H,26,29,33)/t18-,19+,20-,22+/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.52E+4 | 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 NTPDase 1 expressed in COS7 cells |
J Med Chem 51: 4518-28 (2008)
Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50262372
(4-[3-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-...)Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC |r| Show InChI InChI=1S/C24H32N7O8P/c1-3-37-40(36,38-4-2)11-14-5-7-15(8-6-14)30-16(32)9-10-26-23(35)20-18(33)19(34)24(39-20)31-13-29-17-21(25)27-12-28-22(17)31/h5-8,12-13,18-20,24,33-34H,3-4,9-11H2,1-2H3,(H,26,35)(H,30,32)(H2,25,27,28)/t18-,19+,20-,24+/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.54E+5 | 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 NTPDase 1 expressed in COS7 cells |
J Med Chem 51: 4518-28 (2008)
Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50262373
(4-[4-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-...)Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC |r| Show InChI InChI=1S/C25H34N7O8P/c1-3-38-41(37,39-4-2)12-15-7-9-16(10-8-15)31-17(33)6-5-11-27-24(36)21-19(34)20(35)25(40-21)32-14-30-18-22(26)28-13-29-23(18)32/h7-10,13-14,19-21,25,34-35H,3-6,11-12H2,1-2H3,(H,27,36)(H,31,33)(H2,26,28,29)/t19-,20+,21-,25+/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.61E+5 | 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 NTPDase 1 expressed in COS7 cells |
J Med Chem 51: 4518-28 (2008)
Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50262251
(4-[4-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimi...)Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC |r| Show InChI InChI=1S/C24H33N4O10P/c1-3-36-39(35,37-4-2)14-15-7-9-16(10-8-15)26-17(29)6-5-12-25-22(33)21-19(31)20(32)23(38-21)28-13-11-18(30)27-24(28)34/h7-11,13,19-21,23,31-32H,3-6,12,14H2,1-2H3,(H,25,33)(H,26,29)(H,27,30,34)/t19-,20+,21-,23+/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.82E+5 | 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 NTPDase 1 expressed in COS7 cells |
J Med Chem 51: 4518-28 (2008)
Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX |
More data for this
Ligand-Target Pair | |
Ectonucleoside triphosphate diphosphohydrolase 1
(Homo sapiens (Human)) | BDBM50262252
(2-[(2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin...)Show SMILES CCOP(=O)(CNC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OCC |r| Show InChI InChI=1S/C16H25N4O10P/c1-3-28-31(27,29-4-2)8-18-10(22)7-17-14(25)13-11(23)12(24)15(30-13)20-6-5-9(21)19-16(20)26/h5-6,11-13,15,23-24H,3-4,7-8H2,1-2H3,(H,17,25)(H,18,22)(H,19,21,26)/t11-,12+,13-,15+/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.86E+5 | 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 NTPDase 1 expressed in COS7 cells |
J Med Chem 51: 4518-28 (2008)
Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX |
More data for this
Ligand-Target Pair | |
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