new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'de jonghe' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50031825
PNG
(CHEMBL3360892)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H16N6O3S/c1-23-9-4-3-8(5-10(9)24-2)19-11(22)6-25-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031825
PNG
(CHEMBL3360892)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H16N6O3S/c1-23-9-4-3-8(5-10(9)24-2)19-11(22)6-25-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031824
PNG
(CHEMBL3360893)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(5-10(9)24-2)18-11(21)6-25-15-19-12-13(20-15)16-7-17-14(12)22/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031824
PNG
(CHEMBL3360893)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(nc[nH]c3=O)[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(5-10(9)24-2)18-11(21)6-25-15-19-12-13(20-15)16-7-17-14(12)22/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031827
PNG
(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031827
PNG
(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031817
PNG
(CHEMBL3360901)
Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC
Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031817
PNG
(CHEMBL3360901)
Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC
Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031881
PNG
(CHEMBL3360878)
Show SMILES COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-13-4-3-10(7-14(13)23-2)18-15(21)9-24-16-19-11-5-6-17-8-12(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031881
PNG
(CHEMBL3360878)
Show SMILES COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-13-4-3-10(7-14(13)23-2)18-15(21)9-24-16-19-11-5-6-17-8-12(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50179357
PNG
(CHEMBL1783609)
Show SMILES COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
Show InChI InChI=1S/C17H25N5O4S/c1-25-15-9-13-14(10-16(15)26-2)19-11-20-17(13)22-7-4-12(5-8-22)3-6-21-27(18,23)24/h9-12,21H,3-8H2,1-2H3,(H2,18,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
59n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using p-Nph-5'-TMP as substrate after 60 mins by Dixon plot ana...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50031826
PNG
(CHEMBL3360885)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O3S/c1-10-6-7-18-16-15(10)20-17(21-16)25-9-14(22)19-11-4-5-12(23-2)13(8-11)24-3/h4-8H,9H2,1-3H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
127n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031826
PNG
(CHEMBL3360885)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC
Show InChI InChI=1S/C17H18N4O3S/c1-10-6-7-18-16-15(10)20-17(21-16)25-9-14(22)19-11-4-5-12(23-2)13(8-11)24-3/h4-8H,9H2,1-3H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
127n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031830
PNG
(CHEMBL3360880)
Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031830
PNG
(CHEMBL3360880)
Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031829
PNG
(CHEMBL3360882)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15ClN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
137n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031829
PNG
(CHEMBL3360882)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15ClN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
137n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031818
PNG
(CHEMBL3360899)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(SC)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(17)20-15(26-3)21-14(12)22-16/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
152n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031818
PNG
(CHEMBL3360899)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(SC)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(17)20-15(26-3)21-14(12)22-16/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
152n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031828
PNG
(CHEMBL3360883)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
192n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031828
PNG
(CHEMBL3360883)
Show SMILES COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Show InChI InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
192n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031882
PNG
(CHEMBL1433061)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccc[nH]c3n2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
217n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031882
PNG
(CHEMBL1433061)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccc[nH]c3n2)cc1OC
Show InChI InChI=1S/C16H16N4O3S/c1-22-12-6-5-10(8-13(12)23-2)18-14(21)9-24-16-19-11-4-3-7-17-15(11)20-16/h3-8H,9H2,1-2H3,(H,18,21)(H,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
217n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50179360
PNG
(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-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
260n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analy...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50031831
PNG
(CHEMBL3360879)
Show SMILES COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-11-4-3-9(5-12(11)23-2)18-13(21)7-24-15-19-10-6-16-8-17-14(10)20-15/h3-6,8H,7H2,1-2H3,(H,18,21)(H,16,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
281n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031831
PNG
(CHEMBL3360879)
Show SMILES COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC
Show InChI InChI=1S/C15H15N5O3S/c1-22-11-4-3-9(5-12(11)23-2)18-13(21)7-24-15-19-10-6-16-8-17-14(10)20-15/h3-6,8H,7H2,1-2H3,(H,18,21)(H,16,17,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
281n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424331
PNG
(CHEMBL2314497)
Show SMILES Nc1nc(N2CCNCC2)c2cc([nH]c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN6/c17-11-3-1-10(2-4-11)13-9-12-14(20-13)21-16(18)22-15(12)23-7-5-19-6-8-23/h1-4,9,19H,5-8H2,(H3,18,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
390n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179375
PNG
(CHEMBL3813806)
Show SMILES Ic1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7IN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
467n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179359
PNG
(CHEBI:34946 | REACTIVE BLUE 2 | 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
520n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analy...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50304501
PNG
(6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine |...)
Show SMILES CN1CCN(CC1)c1cc(N)nc(N)n1
Show InChI InChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
530n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179374
PNG
(CHEMBL3814399)
Show SMILES Brc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7BrN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
610n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424324
PNG
(CHEMBL2314761)
Show SMILES N[C@H]1CCN(C1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H17FN6/c17-10-3-1-9(2-4-10)13-7-12-14(20-13)21-16(19)22-15(12)23-6-5-11(18)8-23/h1-4,7,11H,5-6,8,18H2,(H3,19,20,21,22)/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
980n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179371
PNG
(CHEMBL2006050)
Show SMILES O=c1n2c(nc3ccccc23)s\c1=C/c1ccco1
Show InChI InChI=1S/C14H8N2O2S/c17-13-12(8-9-4-3-7-18-9)19-14-15-10-5-1-2-6-11(10)16(13)14/h1-8H/b12-8-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
981n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50031822
PNG
(CHEMBL3360895)
Show SMILES CCOc1nc(N)nc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc12
Show InChI InChI=1S/C17H20N6O4S/c1-4-27-15-13-14(21-16(18)23-15)22-17(20-13)28-8-12(24)19-9-5-6-10(25-2)11(7-9)26-3/h5-7H,4,8H2,1-3H3,(H,19,24)(H3,18,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031822
PNG
(CHEMBL3360895)
Show SMILES CCOc1nc(N)nc2[nH]c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc12
Show InChI InChI=1S/C17H20N6O4S/c1-4-27-15-13-14(21-16(18)23-15)22-17(20-13)28-8-12(24)19-9-5-6-10(25-2)11(7-9)26-3/h5-7H,4,8H2,1-3H3,(H,19,24)(H3,18,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50179376
PNG
(CHEMBL3814245)
Show SMILES [O-][N+](=O)c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7N3O4S/c18-13-11(7-8-5-6-12(21-8)17(19)20)22-14-15-9-3-1-2-4-10(9)16(13)14/h1-7H/b11-7-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.07E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50304501
PNG
(6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine |...)
Show SMILES CN1CCN(CC1)c1cc(N)nc(N)n1
Show InChI InChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424340
PNG
(CHEMBL2314772)
Show SMILES Nc1nc(N2CCNCC2)c2cc([nH]c2n1)-c1ccccc1
Show InChI InChI=1S/C16H18N6/c17-16-20-14-12(15(21-16)22-8-6-18-7-9-22)10-13(19-14)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H3,17,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.41E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424327
PNG
(CHEMBL2314501)
Show SMILES CN1CCCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C18H22N6/c1-23-8-5-9-24(11-10-23)17-14-12-15(13-6-3-2-4-7-13)20-16(14)21-18(19)22-17/h2-4,6-7,12H,5,8-11H2,1H3,(H3,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.41E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424325
PNG
(CHEMBL2314760)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C16H17FN6/c17-10-3-1-9(2-4-10)13-7-12-14(20-13)21-16(19)22-15(12)23-6-5-11(18)8-23/h1-4,7,11H,5-6,8,18H2,(H3,19,20,21,22)/t11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.71E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179372
PNG
(CHEMBL3814889)
Show SMILES Cc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C15H10N2O2S/c1-9-6-7-10(19-9)8-13-14(18)17-12-5-3-2-4-11(12)16-15(17)20-13/h2-8H,1H3/b13-8-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.11E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424338
PNG
(CHEMBL2314774)
Show SMILES CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN6/c1-23-6-8-24(9-7-23)16-13-10-14(11-2-4-12(18)5-3-11)20-15(13)21-17(19)22-16/h2-5,10H,6-9H2,1H3,(H3,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.64E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424341
PNG
(CHEMBL2314771)
Show SMILES Cc1cc2c(nc(N)nc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C11H16N6/c1-7-6-8-9(14-7)15-11(12)16-10(8)17-4-2-13-3-5-17/h6,13H,2-5H2,1H3,(H3,12,14,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.67E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424326
PNG
(CHEMBL2314759)
Show SMILES CN1CCCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN6/c1-24-7-2-8-25(10-9-24)17-14-11-15(12-3-5-13(19)6-4-12)21-16(14)22-18(20)23-17/h3-6,11H,2,7-10H2,1H3,(H3,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.93E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424337
PNG
(CHEMBL2314775)
Show SMILES CN1CCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN6/c1-23-6-8-24(9-7-23)16-13-10-14(11-2-4-12(18)5-3-11)20-15(13)21-17(19)22-16/h2-5,10H,6-9H2,1H3,(H3,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.28E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50424336
PNG
(CHEMBL2314776)
Show SMILES COc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C18H22N6O/c1-23-7-9-24(10-8-23)17-14-11-15(20-16(14)21-18(19)22-17)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H3,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.32E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma


Bioorg Med Chem Lett 23: 132-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.139
BindingDB Entry DOI: 10.7270/Q28P61TF
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50031820
PNG
(CHEMBL3360897)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C15H17N7O3S/c1-24-8-4-3-7(5-9(8)25-2)18-10(23)6-26-15-19-11-12(16)20-14(17)21-13(11)22-15/h3-5H,6H2,1-2H3,(H,18,23)(H5,16,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.48E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031820
PNG
(CHEMBL3360897)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(N)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C15H17N7O3S/c1-24-8-4-3-7(5-9(8)25-2)18-10(23)6-26-15-19-11-12(16)20-14(17)21-13(11)22-15/h3-5H,6H2,1-2H3,(H,18,23)(H5,16,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.48E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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 1


(Homo sapiens (Human))
BDBM50031819
PNG
(CHEMBL3360898)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(SC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.65E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis


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 1


(Homo sapiens (Human))
BDBM50031819
PNG
(CHEMBL3360898)
Show SMILES COc1ccc(NC(=O)CSc2nc3c(SC)nc(N)nc3[nH]2)cc1OC
Show InChI InChI=1S/C16H18N6O3S2/c1-24-9-5-4-8(6-10(9)25-2)18-11(23)7-27-16-19-12-13(21-16)20-15(17)22-14(12)26-3/h4-6H,7H2,1-3H3,(H,18,23)(H3,17,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.65E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human NPP1 using p-Nph-5'-TMP 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
Displayed 1 to 50 (of 228 total )  |  Next  |  Last  >>
Jump to: