Found 52 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-kinase beta
(Homo sapiens (Human)) | BDBM50200009
(CHEMBL3923414)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H27ClN6O5S/c1-14-21(29-22(26-14)17(13-20(23)27-29)25-7-6-24-15(2)30)16-4-5-18(33-3)19(12-16)35(31,32)28-8-10-34-11-9-28/h4-5,12-13,25H,6-11H2,1-3H3,(H,24,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200098
(CHEMBL3930509)Show SMILES COc1ccc(cc1S(=O)(=O)N(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C20H25ClN6O4S/c1-12-19(14-6-7-16(31-5)17(10-14)32(29,30)26(3)4)27-20(24-12)15(11-18(21)25-27)23-9-8-22-13(2)28/h6-7,10-11,23H,8-9H2,1-5H3,(H,22,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200012
(CHEMBL3958915)Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCc3ccnc(CC)c3)cc(Cl)nn12 Show InChI InChI=1S/C26H31ClN6O4S/c1-5-19-11-17(9-10-28-19)14-29-21-13-24(27)31-33-25(16(3)30-26(21)33)18-7-8-22(37-4)23(12-18)38(35,36)32-20(6-2)15-34/h7-13,20,29,32,34H,5-6,14-15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199891
(CHEMBL3920652)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(O)CC2)ccn1 Show InChI InChI=1S/C27H31ClN6O4S/c1-4-20-13-18(7-10-29-20)16-30-22-15-25(28)32-34-26(17(2)31-27(22)34)19-5-6-23(38-3)24(14-19)39(36,37)33-11-8-21(35)9-12-33/h5-7,10,13-15,21,30,35H,4,8-9,11-12,16H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200000
(CHEMBL3911522)Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H29ClN6O5S/c1-5-16(12-30)28-35(32,33)19-10-15(6-7-18(19)34-4)21-13(2)26-22-17(11-20(23)27-29(21)22)25-9-8-24-14(3)31/h6-7,10-11,16,25,28,30H,5,8-9,12H2,1-4H3,(H,24,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200097
(CHEMBL3939697)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC=C)ccn1 Show InChI InChI=1S/C25H27ClN6O3S/c1-5-10-29-36(33,34)22-13-18(7-8-21(22)35-4)24-16(3)30-25-20(14-23(26)31-32(24)25)28-15-17-9-11-27-19(6-2)12-17/h5,7-9,11-14,28-29H,1,6,10,15H2,2-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199889
(CHEMBL3957128)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1 Show InChI InChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200004
(CHEMBL3959713)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2cccc(c2)S(=O)(=O)N(C)C)ccn1 Show InChI InChI=1S/C23H25ClN6O2S/c1-5-18-11-16(9-10-25-18)14-26-20-13-21(24)28-30-22(15(2)27-23(20)30)17-7-6-8-19(12-17)33(31,32)29(3)4/h6-13,26H,5,14H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199998
(CHEMBL3902513)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200101
(CHEMBL3947384)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)| Show InChI InChI=1S/C28H34ClN7O3S/c1-4-21-13-18(11-12-31-21)16-32-23-15-26(29)34-36-27(17(2)33-28(23)36)19-5-10-24(39-3)25(14-19)40(37,38)35-22-8-6-20(30)7-9-22/h5,10-15,20,22,32,35H,4,6-9,16,30H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200005
(CHEMBL3929556)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCOC)ccn1 Show InChI InChI=1S/C25H29ClN6O4S/c1-5-19-12-17(8-9-27-19)15-28-20-14-23(26)31-32-24(16(2)30-25(20)32)18-6-7-21(36-4)22(13-18)37(33,34)29-10-11-35-3/h6-9,12-14,28-29H,5,10-11,15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200105
(CHEMBL3894217)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)ccn1 Show InChI InChI=1S/C26H29ClN6O4S/c1-4-20-13-18(7-8-28-20)16-29-21-15-24(27)31-33-25(17(2)30-26(21)33)19-5-6-22(36-3)23(14-19)38(34,35)32-9-11-37-12-10-32/h5-8,13-15,29H,4,9-12,16H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200103
(CHEMBL3948449)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)n2cccn2)ccn1 Show InChI InChI=1S/C25H24ClN7O3S/c1-4-19-12-17(8-10-27-19)15-28-20-14-23(26)31-33-24(16(2)30-25(20)33)18-6-7-21(36-3)22(13-18)37(34,35)32-11-5-9-29-32/h5-14,28H,4,15H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200096
(CHEMBL3893537)Show SMILES COc1ccc(cc1S(=O)(=O)NCC=C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H25ClN6O4S/c1-5-8-25-33(30,31)18-11-15(6-7-17(18)32-4)20-13(2)26-21-16(12-19(22)27-28(20)21)24-10-9-23-14(3)29/h5-7,11-12,24-25H,1,8-10H2,2-4H3,(H,23,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199892
(CHEMBL3889874)Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199996
(CHEMBL3915835)Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccncc3)cc(Cl)nn12 Show InChI InChI=1S/C21H21ClN6O2S/c1-14-20(16-5-4-6-17(11-16)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-15-7-9-23-10-8-15/h4-12,24H,13H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200007
(CHEMBL3925101)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N(C)C)ccn1 Show InChI InChI=1S/C24H27ClN6O3S/c1-6-18-11-16(9-10-26-18)14-27-19-13-22(25)29-31-23(15(2)28-24(19)31)17-7-8-20(34-5)21(12-17)35(32,33)30(3)4/h7-13,27H,6,14H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199999
(CHEMBL3986552)Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)| Show InChI InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200100
(CHEMBL3905730)Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccnc(C)c3)cc(Cl)nn12 Show InChI InChI=1S/C22H23ClN6O2S/c1-14-10-16(8-9-24-14)13-25-19-12-20(23)27-29-21(15(2)26-22(19)29)17-6-5-7-18(11-17)32(30,31)28(3)4/h5-12,25H,13H2,1-4H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200104
(CHEMBL3969997)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(CO)CC2)ccn1 Show InChI InChI=1S/C28H33ClN6O4S/c1-4-22-13-20(7-10-30-22)16-31-23-15-26(29)33-35-27(18(2)32-28(23)35)21-5-6-24(39-3)25(14-21)40(37,38)34-11-8-19(17-36)9-12-34/h5-7,10,13-15,19,31,36H,4,8-9,11-12,16-17H2,1-3H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200001
(CHEMBL3921556)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(O)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C23H29ClN6O5S/c1-14-22(30-23(27-14)18(13-21(24)28-30)26-9-8-25-15(2)31)16-4-5-19(35-3)20(12-16)36(33,34)29-10-6-17(32)7-11-29/h4-5,12-13,17,26,32H,6-11H2,1-3H3,(H,25,31) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199887
(CHEMBL3914714)Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200008
(CHEMBL3898792)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CC2)ccn1 Show InChI InChI=1S/C25H27ClN6O3S/c1-4-18-11-16(9-10-27-18)14-28-20-13-23(26)30-32-24(15(2)29-25(20)32)17-5-8-21(35-3)22(12-17)36(33,34)31-19-6-7-19/h5,8-13,19,28,31H,4,6-7,14H2,1-3H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199995
(CHEMBL3938589)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCCCC2)ccn1 Show InChI InChI=1S/C27H31ClN6O3S/c1-4-21-14-19(10-11-29-21)17-30-22-16-25(28)32-34-26(18(2)31-27(22)34)20-8-9-23(37-3)24(15-20)38(35,36)33-12-6-5-7-13-33/h8-11,14-16,30H,4-7,12-13,17H2,1-3H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200011
(CHEMBL3933495)Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3cccnc3)cc(Cl)nn12 Show InChI InChI=1S/C21H21ClN6O2S/c1-14-20(16-7-4-8-17(10-16)31(29,30)27(2)3)28-21(25-14)18(11-19(22)26-28)24-13-15-6-5-9-23-12-15/h4-12,24H,13H2,1-3H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200010
(CHEMBL3965171)Show SMILES COc1ccc(cc1S(=O)(=O)NCCN(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H30ClN7O4S/c1-14-21(30-22(27-14)17(13-20(23)28-30)25-9-8-24-15(2)31)16-6-7-18(34-5)19(12-16)35(32,33)26-10-11-29(3)4/h6-7,12-13,25-26H,8-11H2,1-5H3,(H,24,31) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199886
(CHEMBL3939491)Show SMILES COc1ccc(cc1S(=O)(=O)NC1CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H25ClN6O4S/c1-12-20(14-4-7-17(32-3)18(10-14)33(30,31)27-15-5-6-15)28-21(25-12)16(11-19(22)26-28)24-9-8-23-13(2)29/h4,7,10-11,15,24,27H,5-6,8-9H2,1-3H3,(H,23,29) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200095
(CHEMBL3932492)Show SMILES COCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H27ClN6O5S/c1-13-20(15-5-6-17(33-4)18(11-15)34(30,31)25-9-10-32-3)28-21(26-13)16(12-19(22)27-28)24-8-7-23-14(2)29/h5-6,11-12,24-25H,7-10H2,1-4H3,(H,23,29) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199964
(CHEMBL3924835)Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccccn3)cc(Cl)nn12 Show InChI InChI=1S/C21H21ClN6O2S/c1-14-20(15-7-6-9-17(11-15)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-16-8-4-5-10-23-16/h4-12,24H,13H2,1-3H3 | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199997
(CHEMBL3948269)Show SMILES CNCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H28ClN7O4S/c1-13-20(15-5-6-17(33-4)18(11-15)34(31,32)26-10-7-23-3)29-21(27-13)16(12-19(22)28-29)25-9-8-24-14(2)30/h5-6,11-12,23,25-26H,7-10H2,1-4H3,(H,24,30) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200002
(CHEMBL3959992)Show SMILES COc1ccc(cc1S(=O)(=O)n1cccn1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H22ClN7O4S/c1-13-20(29-21(26-13)16(12-19(22)27-29)24-9-8-23-14(2)30)15-5-6-17(33-3)18(11-15)34(31,32)28-10-4-7-25-28/h4-7,10-12,24H,8-9H2,1-3H3,(H,23,30) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50200022
(CHEMBL3978329)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCCCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C23H29ClN6O4S/c1-15-22(30-23(27-15)18(14-21(24)28-30)26-10-9-25-16(2)31)17-7-8-19(34-3)20(13-17)35(32,33)29-11-5-4-6-12-29/h7-8,13-14,26H,4-6,9-12H2,1-3H3,(H,25,31) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199890
(CHEMBL3942710)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)cc2)ccn1 Show InChI InChI=1S/C22H22ClN5O/c1-4-17-11-15(9-10-24-17)13-25-19-12-20(23)27-28-21(14(2)26-22(19)28)16-5-7-18(29-3)8-6-16/h5-12,25H,4,13H2,1-3H3 | PDB
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| n/a | n/a | 444 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199899
(CHEMBL3901551)Show SMILES CC(C)(C)OC(=O)CCNC(=O)Nc1nc2CCc3cnc(nc3-c2s1)-c1ccccc1Cl Show InChI InChI=1S/C23H24ClN5O3S/c1-23(2,3)32-17(30)10-11-25-21(31)29-22-27-16-9-8-13-12-26-20(28-18(13)19(16)33-22)14-6-4-5-7-15(14)24/h4-7,12H,8-11H2,1-3H3,(H2,25,27,29,31) | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged PI4KA (875 to 2044 residues) (unknown origin) expressed in Sf21 cells using soluble lipid PI-diC8 by fluorescence... |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50200101
(CHEMBL3947384)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)| Show InChI InChI=1S/C28H34ClN7O3S/c1-4-21-13-18(11-12-31-21)16-32-23-15-26(29)34-36-27(17(2)33-28(23)36)19-5-10-24(39-3)25(14-19)40(37,38)35-22-8-6-20(30)7-9-22/h5,10-15,20,22,32,35H,4,6-9,16,30H2,1-3H3 | PDB
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| n/a | n/a | 553 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199999
(CHEMBL3986552)Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)| Show InChI InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33) | PDB
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| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199889
(CHEMBL3957128)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1 Show InChI InChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3 | PDB
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PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50200010
(CHEMBL3965171)Show SMILES COc1ccc(cc1S(=O)(=O)NCCN(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H30ClN7O4S/c1-14-21(30-22(27-14)17(13-20(23)28-30)25-9-8-24-15(2)31)16-6-7-18(34-5)19(12-16)35(32,33)26-10-11-29(3)4/h6-7,12-13,25-26H,8-11H2,1-5H3,(H,24,31) | PDB
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| n/a | n/a | 4.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human)) | BDBM50199899
(CHEMBL3901551)Show SMILES CC(C)(C)OC(=O)CCNC(=O)Nc1nc2CCc3cnc(nc3-c2s1)-c1ccccc1Cl Show InChI InChI=1S/C23H24ClN5O3S/c1-23(2,3)32-17(30)10-11-25-21(31)29-22-27-16-9-8-13-12-26-20(28-18(13)19(16)33-22)14-6-4-5-7-15(14)24/h4-7,12H,8-11H2,1-3H3,(H2,25,27,29,31) | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of full length PI4KB (unknown origin) expressed in Sf21 cells using soluble lipid PI-diC8 by fluorescence polarization assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199998
(CHEMBL3902513)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33) | PDB
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| n/a | n/a | 8.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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UniChem
Similars
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PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase type 2-alpha
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4K2A (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50200000
(CHEMBL3911522)Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H29ClN6O5S/c1-5-16(12-30)28-35(32,33)19-10-15(6-7-18(19)34-4)21-13(2)26-22-17(11-20(23)27-29(21)22)25-9-8-24-14(3)31/h6-7,10-11,16,25,28,30H,5,8-9,12H2,1-4H3,(H,24,31) | PDB
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| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199888
(CHEMBL3976651)Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3 | PDB
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Similars
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| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199997
(CHEMBL3948269)Show SMILES CNCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H28ClN7O4S/c1-13-20(15-5-6-17(33-4)18(11-15)34(31,32)26-10-7-23-3)29-21(27-13)16(12-19(22)28-29)25-9-8-24-14(2)30/h5-6,11-12,23,25-26H,7-10H2,1-4H3,(H,24,30) | PDB
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| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50200009
(CHEMBL3923414)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H27ClN6O5S/c1-14-21(29-22(26-14)17(13-20(23)27-29)25-7-6-24-15(2)30)16-4-5-18(33-3)19(12-16)35(31,32)28-8-10-34-11-9-28/h4-5,12-13,25H,6-11H2,1-3H3,(H,24,30) | PDB
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| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase type 2-alpha
(Homo sapiens (Human)) | BDBM50199887
(CHEMBL3914714)Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27) | PDB
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CHEMBL
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4K2A (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human)) | BDBM50199887
(CHEMBL3914714)Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay |
J Med Chem 60: 100-118 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8 |
More data for this
Ligand-Target Pair | |
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