Found 267 hits with Last Name = 'sanchez' and Initial = 'rm' 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 beta isoform
(Homo sapiens (Human)) | BDBM50381156
(CHEMBL2018220 | D3RKN_94)Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2S/c1-12-13(4-3-5-14(12)19(20,21)22)11-26-17-23-15(25-6-8-29-9-7-25)10-16(28)27(17)24-18(26)30-2/h3-5,10H,6-9,11H2,1-2H3 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381161
(CHEMBL2018219)Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(28)10-16(23-18(26)27)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3 | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50450513
(CHEMBL4168219)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H15F4N3O5S/c21-16-6-15(3-1-12(16)7-25)32-18-9-27(10-19(18,29)11-28)33(30,31)17-4-2-14(20(22,23)24)5-13(17)8-26/h1-6,18,28-29H,9-11H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1... |
J Med Chem 61: 9738-9755 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01317
BindingDB Entry DOI: 10.7270/Q2CJ8H2P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381157
(CHEMBL2018360)Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365882
(CHEMBL1957870)Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381164
(CHEMBL2018214)Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C17H17Cl2N5O2/c1-11-21-24-15(25)9-14(22-5-7-26-8-6-22)20-17(24)23(11)10-12-3-2-4-13(18)16(12)19/h2-4,9H,5-8,10H2,1H3 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381162
(CHEMBL2018221)Show SMILES Cc1c(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)cccc1C(F)(F)F Show InChI InChI=1S/C21H22F3N5O2/c1-13-15(3-2-4-16(13)21(22,23)24)12-28-19(14-5-6-14)26-29-18(30)11-17(25-20(28)29)27-7-9-31-10-8-27/h2-4,11,14H,5-10,12H2,1H3 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381161
(CHEMBL2018219)Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(28)10-16(23-18(26)27)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3 | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381165
(CHEMBL2018215)Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C17H17Cl2N5O2S/c1-27-17-21-24-14(25)9-13(22-5-7-26-8-6-22)20-16(24)23(17)10-11-3-2-4-12(18)15(11)19/h2-4,9H,5-8,10H2,1H3 | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50502640
(CHEMBL4470585)Show SMILES CC(C)(O)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r| Show InChI InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365869
(CHEMBL1957858)Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381159
(CHEMBL2018217)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381159
(CHEMBL2018217)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381163
(CHEMBL2018361)Show SMILES Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365867
(CHEMBL1957856)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-24-16(25)9-15(22-5-7-26-8-6-22)21-18(24)23(12)11-13-3-2-4-14(19)17(13)20/h2-4,9-10H,5-8,11H2,1H3 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50450500
(CHEMBL4164465)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1... |
J Med Chem 61: 9738-9755 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01317
BindingDB Entry DOI: 10.7270/Q2CJ8H2P |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50450500
(CHEMBL4164465)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1... |
J Med Chem 61: 9738-9755 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01317
BindingDB Entry DOI: 10.7270/Q2CJ8H2P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381155
(CHEMBL2018216)Show SMILES Clc1cccc(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)c1Cl Show InChI InChI=1S/C19H19Cl2N5O2/c20-14-3-1-2-13(17(14)21)11-25-18(12-4-5-12)23-26-16(27)10-15(22-19(25)26)24-6-8-28-9-7-24/h1-3,10,12H,4-9,11H2 | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365865
(CHEMBL1957841)Show InChI InChI=1S/C21H20N4O2/c26-20-14-19(23-10-12-27-13-11-23)22-21-24(8-9-25(20)21)15-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,14H,10-13,15H2 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50365882
(CHEMBL1957870)Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365866
(CHEMBL1957855)Show SMILES Cc1c(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(27)11-16(23-18(25)26)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381159
(CHEMBL2018217)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3 | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505551
(CHEMBL4517101)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2FN3O4S/c19-12-2-4-16(14(20)5-12)29(26,27)24-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,25H,8-10,23H2/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505543
(CHEMBL4454801)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccccc1C#N |r| Show InChI InChI=1S/C19H16FN3O5S/c20-16-7-15(6-5-13(16)8-21)28-18-10-23(11-19(18,25)12-24)29(26,27)17-4-2-1-3-14(17)9-22/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365873
(CHEMBL1957862)Show SMILES O=c1cc(nc2n(Cc3cccc4ccccc34)c3ccccc3n12)N1CCOCC1 Show InChI InChI=1S/C25H22N4O2/c30-24-16-23(27-12-14-31-15-13-27)26-25-28(21-10-3-4-11-22(21)29(24)25)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,16H,12-15,17H2 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381162
(CHEMBL2018221)Show SMILES Cc1c(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)cccc1C(F)(F)F Show InChI InChI=1S/C21H22F3N5O2/c1-13-15(3-2-4-16(13)21(22,23)24)12-28-19(14-5-6-14)26-29-18(30)11-17(25-20(28)29)27-7-9-31-10-8-27/h2-4,11,14H,5-10,12H2,1H3 | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381156
(CHEMBL2018220 | D3RKN_94)Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2S/c1-12-13(4-3-5-14(12)19(20,21)22)11-26-17-23-15(25-6-8-29-9-7-25)10-16(28)27(17)24-18(26)30-2/h3-5,10H,6-9,11H2,1-2H3 | 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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365872
(CHEMBL1957861)Show SMILES Cc1c(C)n2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O2/c1-13-16(5-4-6-17(13)21(22,23)24)12-27-14(2)15(3)28-19(29)11-18(25-20(27)28)26-7-9-30-10-8-26/h4-6,11H,7-10,12H2,1-3H3 | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365890
(CHEMBL1957875)Show SMILES C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365880
(CHEMBL1957868)Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3 | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505546
(CHEMBL4533534 | US11260049, Ex. 82)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365870
(CHEMBL1957859)Show SMILES Clc1cccc(Cn2c3ccccc3n3c2nc(cc3=O)N2CCOCC2)c1Cl Show InChI InChI=1S/C21H18Cl2N4O2/c22-15-5-3-4-14(20(15)23)13-26-16-6-1-2-7-17(16)27-19(28)12-18(24-21(26)27)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50381158
(CHEMBL2018222)Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505544
(CHEMBL4550510)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381165
(CHEMBL2018215)Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C17H17Cl2N5O2S/c1-27-17-21-24-14(25)9-13(22-5-7-26-8-6-22)20-16(24)23(17)10-11-3-2-4-12(18)15(11)19/h2-4,9H,5-8,10H2,1H3 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50365880
(CHEMBL1957868)Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365864
(CHEMBL1957840)Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-3-1-2-12(16(13)19)11-22-4-5-23-15(24)10-14(20-17(22)23)21-6-8-25-9-7-21/h1-5,10H,6-9,11H2 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092
BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381160
(CHEMBL2018218)Show SMILES CSc1nn2c(nc(cc2=O)-c2ccncc2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C18H13Cl2N5OS/c1-27-18-23-25-15(26)9-14(11-5-7-21-8-6-11)22-17(25)24(18)10-12-3-2-4-13(19)16(12)20/h2-9H,10H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this
Ligand-Target Pair | |
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