Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403065
(CHEMBL2216880)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138522
(US8877757, 144)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCN(C)C)cc(OC)c1 Show InChI InChI=1S/C28H32N6O5S/c1-34(2)14-8-13-29-28(35)19-9-7-10-23(15-19)40(36,37)33-27-26(31-24-11-5-6-12-25(24)32-27)30-20-16-21(38-3)18-22(17-20)39-4/h5-7,9-12,15-18H,8,13-14H2,1-4H3,(H,29,35)(H,30,31)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138520
(US8877757, 65)Show SMILES COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C21H19N5O4S/c1-29-14-9-10-19(30-2)18(12-14)25-20-21(24-17-8-4-3-7-16(17)23-20)26-31(27,28)15-6-5-11-22-13-15/h3-13H,1-2H3,(H,23,25)(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138521
(US8877757, 86)Show SMILES COc1ccc(OC)c(Nc2nc3ncccc3nc2NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H19N5O4S/c1-29-14-10-11-18(30-2)17(13-14)24-20-21(23-16-9-6-12-22-19(16)25-20)26-31(27,28)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,23,26)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138518
(US8877757, 13)Show SMILES COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C20H20N6O4S/c1-26-11-18(21-12-26)31(27,28)25-20-19(22-14-6-4-5-7-15(14)23-20)24-16-10-13(29-2)8-9-17(16)30-3/h4-12H,1-3H3,(H,22,24)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138519
(US8877757, 29)Show SMILES COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3n(C)c(=O)sc3c2)c1 Show InChI InChI=1S/C24H21N5O5S2/c1-29-19-10-9-15(13-21(19)35-24(29)30)36(31,32)28-23-22(25-16-6-4-5-7-17(16)26-23)27-18-12-14(33-2)8-11-20(18)34-3/h4-13H,1-3H3,(H,25,27)(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM138517
(US8877757, 11)Show SMILES COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)C#N)c1 Show InChI InChI=1S/C23H19N5O4S/c1-31-16-10-11-21(32-2)20(13-16)27-22-23(26-19-9-4-3-8-18(19)25-22)28-33(29,30)17-7-5-6-15(12-17)14-24/h3-13H,1-2H3,(H,25,27)(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono SA
US Patent
| Assay Description
The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho... |
US Patent US8877757 (2014)
BindingDB Entry DOI: 10.7270/Q2W094MT |
More data for this
Ligand-Target Pair | |
Search and Browse
