Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50001340 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 |
|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50276789
(CHEMBL4175913)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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50276782
(CHEMBL4165654)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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50276784
(CHEMBL4159530)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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock
Curated by ChEMBL
| Assay Description
Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as ... |
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 | |
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