Found 46 hits of ki data for polymerid = 50006725,50006902 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 3
(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
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50430551
(CHEMBL2336905)Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C21H19N5O4S2/c1-13-6-7-14(12-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-8-10-16(11-9-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30) | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597619
(CHEMBL1485038) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597651
(CHEMBL5172114)Show SMILES N#Cc1ccc2n(ccc2c1)-c1cc2ccccc2c2cc3cc(ccc3n12)C#N | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597650
(CHEMBL5208063)Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccccc2)-c2ccccc2)-[#6]-1=O | PDB
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UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50179359
(CHEBI:34946 | Reactive Blue 2)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50179359
(CHEBI:34946 | Reactive Blue 2)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB
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UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597652
(CHEMBL4284270) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597649
(CHEMBL4277262)Show SMILES Nc1ncnc2n(cnc12)[C@H](O[C@H](COP(O)(=O)OP(O)(O)=O)C=O)C=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597619
(CHEMBL1485038) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597653
(CHEMBL5194668) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50430552
(CHEMBL2336904)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1 Show InChI InChI=1S/C20H17N5O4S2/c21-30(26,27)15-10-8-14(9-11-15)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)31(22,28)29/h1-12H,(H,23,25)(H2,21,26,27)(H2,22,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597626
(CHEMBL5179873)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)c(c3)S(N)(=O)=O)c3ccccc23)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597629
(CHEMBL5177162)Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597621
(CHEMBL5190049)Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597620
(CHEMBL5186468)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597634
(CHEMBL5202320)Show SMILES Cc1ccc(cc1S(=O)(=O)NCc1ccccn1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597635
(CHEMBL5204534)Show SMILES Cc1ccc(cc1S(=O)(=O)NCc1ccco1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50430549
(CHEMBL2313213)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)16-12-10-15(11-13-16)22-20-18-9-5-4-8-17(18)19(23-24-20)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H2,21,25,26) | PDB
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597627
(CHEMBL5192465)Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597643
(CHEMBL5175797)Show SMILES Cc1ccc(cc1-c1nnc[nH]1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597642
(CHEMBL5182554)Show SMILES Cc1ccc(cc1-c1nccs1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50430548
(CHEMBL2336894)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H15ClN4O2S/c21-14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)20(25-24-19)23-15-9-11-16(12-10-15)28(22,26)27/h1-12H,(H,23,25)(H2,22,26,27) | PDB
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UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597622
(CHEMBL5208678)Show SMILES COc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597633
(CHEMBL5207807)Show SMILES Cc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597623
(CHEMBL1561438)Show SMILES CCOc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597628
(CHEMBL5198760)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)c(c3)S(N)(=O)=O)c3ccccc23)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597632
(CHEMBL5197692)Show SMILES Cc1ccc(cc1S(=O)(=O)NCCO)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597625
(CHEMBL5169839)Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50173030
(4-[4-(4-Sulfamoyl-phenylamino)-phthalazin-1-yl]-be...)Show SMILES NC(=O)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C21H17N5O3S/c22-20(27)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)21(26-25-19)24-15-9-11-16(12-10-15)30(23,28)29/h1-12H,(H2,22,27)(H,24,26)(H2,23,28,29) | PDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597639
(CHEMBL5171120)Show SMILES Cc1cc(ccc1Nc1nnc(-c2ccc(C)c(c2)S(N)(=O)=O)c2ccccc12)S(N)(=O)=O | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597631
(CHEMBL5176192)Show SMILES Cc1ccc(cc1S(=O)(=O)NC(C)(C)C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597630
(CHEMBL5201212)Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597624
(CHEMBL5169491)Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(OCC#C)cc3)c3ccccc23)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597644
(CHEMBL5191332)Show SMILES CCc1nnc(s1)-c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597648
(CHEMBL5199666)Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(O)cc2)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597646
(CHEMBL5205345)Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597638
(CHEMBL1513693)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597637
(CHEMBL5196274)Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597636
(CHEMBL1556897)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597647
(CHEMBL5172284)Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(F)cc2)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597645
(CHEMBL1475918)Show SMILES Cc1ccc(Nc2nnc(-c3ccc(C)c(c3)S(N)(=O)=O)c3ccccc23)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50031827
(CHEMBL3360884)Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1 Show InChI InChI=1S/C17H18N4O4S/c1-23-12-6-4-10(8-13(12)24-2)18-14(22)9-26-17-19-11-5-7-15(25-3)20-16(11)21-17/h4-8H,9H2,1-3H3,(H,18,22)(H,19,20,21) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven
Curated by ChEMBL
| Assay Description Competitive inhibition of human NPP3 using ATP as substrate |
J Med Chem 57: 10080-100 (2014)
Article DOI: 10.1021/jm501434y BindingDB Entry DOI: 10.7270/Q2377B9S |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597640
(CHEMBL5188097)Show SMILES Cc1ccc(cc1C(N)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Homo sapiens (Human)) | BDBM50597641
(CHEMBL5185232)Show SMILES Cc1ccc(cc1-c1nnco1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00117e BindingDB Entry DOI: 10.7270/Q2H99966 |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
(Bos taurus) | BDBM50080274
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) | UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of bovine intestinal 5'-nucleotide phosphodiesterase using 4-nitrophenyl phenylphosphonate substrate by spectrophotometry |
Bioorg Med Chem 23: 4462-71 (2015)
Article DOI: 10.1016/j.bmc.2015.06.017 BindingDB Entry DOI: 10.7270/Q2R78GZ7 |
More data for this Ligand-Target Pair | |