Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50033466 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 |
|---|
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345911
(CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...)Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-6-17(20(34-2)21(19)35-3)14-28-10-8-27(9-11-28)13-16-5-4-15(12-18(16)29(31)32)22(30)26-23(24)25/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345917
(CHEMBL1783857 | N-(diaminomethylene)-3-(N-methylsu...)Show SMILES CNS(=O)(=O)c1cc(ccc1C(C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C25H36N6O6S/c1-16(19-8-6-17(24(32)29-25(26)27)14-21(19)38(33,34)28-2)31-12-10-30(11-13-31)15-18-7-9-20(35-3)23(37-5)22(18)36-4/h6-9,14,16,28H,10-13,15H2,1-5H3,(H4,26,27,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.48 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345908
(CHEMBL1783849 | N-(diaminomethylene)-2-((4-(2,3,4-...)Show SMILES COc1ccc(CN2CCN(Cc3ccccc3C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H31N5O4/c1-30-19-9-8-17(20(31-2)21(19)32-3)15-28-12-10-27(11-13-28)14-16-6-4-5-7-18(16)22(29)26-23(24)25/h4-9H,10-15H2,1-3H3,(H4,24,25,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345914
(CHEMBL1783830 | N-(diaminomethylene)-3-sulfamoyl-4...)Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3S(N)(=O)=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H32N6O6S/c1-33-18-7-6-17(20(34-2)21(18)35-3)14-29-10-8-28(9-11-29)13-16-5-4-15(22(30)27-23(24)25)12-19(16)36(26,31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H2,26,31,32)(H4,24,25,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345912
(CHEMBL1783853 | N-(diaminomethylene)-4-nitro-3-((4...)Show SMILES COc1ccc(CN2CCN(Cc3cc(ccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-5-16(20(34-2)21(19)35-3)13-27-8-10-28(11-9-27)14-17-12-15(22(30)26-23(24)25)4-6-18(17)29(31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.2 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345916
(CHEMBL1783856 | N-(diaminomethylene)-3-(N-methylsu...)Show SMILES CNS(=O)(=O)c1cc(ccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C24H34N6O6S/c1-27-37(32,33)20-13-16(23(31)28-24(25)26)5-6-17(20)14-29-9-11-30(12-10-29)15-18-7-8-19(34-2)22(36-4)21(18)35-3/h5-8,13,27H,9-12,14-15H2,1-4H3,(H4,25,26,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345913
(CHEMBL1783854 | N-(diaminomethylene)-3-nitro-4-(1-...)Show SMILES COc1ccc(CN2CCN(CC2)C(C)c2ccc(cc2[N+]([O-])=O)C(=O)NC(N)=N)c(OC)c1OC Show InChI InChI=1S/C24H32N6O6/c1-15(18-7-5-16(13-19(18)30(32)33)23(31)27-24(25)26)29-11-9-28(10-12-29)14-17-6-8-20(34-2)22(36-4)21(17)35-3/h5-8,13,15H,9-12,14H2,1-4H3,(H4,25,26,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18.7 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345906
(CHEMBL1783847 | N-(diaminomethylene)-4-((4-(2,3,4-...)Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H31N5O4/c1-30-19-9-8-18(20(31-2)21(19)32-3)15-28-12-10-27(11-13-28)14-16-4-6-17(7-5-16)22(29)26-23(24)25/h4-9H,10-15H2,1-3H3,(H4,24,25,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36.4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345907
(CHEMBL1783848 | N-(diaminomethylene)-3-((4-(2,3,4-...)Show SMILES COc1ccc(CN2CCN(Cc3cccc(c3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H31N5O4/c1-30-19-8-7-18(20(31-2)21(19)32-3)15-28-11-9-27(10-12-28)14-16-5-4-6-17(13-16)22(29)26-23(24)25/h4-8,13H,9-12,14-15H2,1-3H3,(H4,24,25,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345909
(CHEMBL1783850 | N-(diaminomethylene)-4-(1-(4-(2,3,...)Show SMILES COc1ccc(CN2CCN(CC2)C(C)c2ccc(cc2)C(=O)NC(N)=N)c(OC)c1OC Show InChI InChI=1S/C24H33N5O4/c1-16(17-5-7-18(8-6-17)23(30)27-24(25)26)29-13-11-28(12-14-29)15-19-9-10-20(31-2)22(33-4)21(19)32-3/h5-10,16H,11-15H2,1-4H3,(H4,25,26,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50058759
(CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...)Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345910
(3-bromo-N-(diaminomethylene)-4-((4-(2,3,4-trimetho...)Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3Br)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30BrN5O4/c1-31-19-7-6-17(20(32-2)21(19)33-3)14-29-10-8-28(9-11-29)13-16-5-4-15(12-18(16)24)22(30)27-23(25)26/h4-7,12H,8-11,13-14H2,1-3H3,(H4,25,26,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Rattus norvegicus) | BDBM50345915
(CHEMBL1783855 | N-(diaminomethylene)-3-(N-propylsu...)Show SMILES CCCNS(=O)(=O)c1cc(ccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C26H38N6O6S/c1-5-10-29-39(34,35)22-15-18(25(33)30-26(27)28)6-7-19(22)16-31-11-13-32(14-12-31)17-20-8-9-21(36-2)24(38-4)23(20)37-3/h6-9,15,29H,5,10-14,16-17H2,1-4H3,(H4,27,28,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of NHE1-mediated rat platelet swelling |
Bioorg Med Chem Lett 19: 3283-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.079
BindingDB Entry DOI: 10.7270/Q2BR8SJ1 |
More data for this
Ligand-Target Pair | |
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