Found 1411 hits with Last Name = 'alam' and Initial = 'p' 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 |
|---|
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM412734
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay |
Bioorg Med Chem 26: 1026-1034 (2018)
Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50454871
(CHEMBL4209835)Show InChI InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay |
Bioorg Med Chem 26: 1026-1034 (2018)
Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM412755
(N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...)Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1 Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay |
Bioorg Med Chem 26: 1026-1034 (2018)
Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448583
(CHEMBL3127491)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM412745
(N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...)Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| PDB
Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay |
Bioorg Med Chem 26: 1026-1034 (2018)
Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032873
(CHEMBL3355684)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(F)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(38,-31.47,;39.32,-32.23,;39.32,-33.76,;40.64,-31.46,;41.96,-32.23,;40.64,-29.94,;41.95,-30.68,;15.71,-45.09,;16.47,-43.75,;18.01,-43.75,;18.79,-45.09,;20.33,-45.09,;21.09,-43.75,;20.33,-42.42,;18.79,-42.42,;22.63,-43.75,;23.41,-45.09,;23.41,-42.42,;24.95,-42.42,;25.71,-43.75,;27.25,-43.75,;28.03,-42.42,;29.57,-42.42,;30.33,-43.75,;29.57,-45.09,;28.03,-45.09,;25.71,-41.09,;25.09,-39.68,;26.23,-38.65,;27.56,-39.42,;28.97,-38.79,;27.24,-40.93,;26.07,-37.12,;27.32,-36.22,;27.16,-34.69,;25.75,-34.05,;25.27,-32.59,;26.18,-31.34,;23.73,-32.59,;23.25,-34.05,;24.5,-34.96,;24.66,-36.49,)| Show InChI InChI=1S/C26H30FN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032874
(CHEMBL3355683)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(34.53,-30.97,;35.85,-31.73,;35.85,-33.26,;37.17,-30.97,;38.49,-31.73,;37.17,-29.44,;38.49,-30.19,;15.69,-45.08,;16.46,-43.74,;18,-43.74,;18.77,-45.08,;20.31,-45.08,;21.08,-43.74,;20.31,-42.42,;18.77,-42.42,;22.62,-43.74,;23.39,-45.08,;23.39,-42.42,;24.93,-42.42,;25.7,-43.74,;27.24,-43.74,;28.01,-42.42,;29.55,-42.42,;30.32,-43.74,;29.55,-45.08,;28.01,-45.08,;25.7,-41.08,;25.07,-39.67,;26.21,-38.64,;27.55,-39.42,;28.96,-38.78,;27.23,-40.92,;26.05,-37.11,;27.3,-36.21,;27.14,-34.68,;25.73,-34.05,;25.26,-32.58,;26.16,-31.33,;23.72,-32.58,;23.24,-34.05,;24.49,-34.96,;24.65,-36.49,)| Show InChI InChI=1S/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50150105
(CHEMBL124069 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...)Show SMILES Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1 Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ISF College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of 5HT transporter (unknown origin) |
Eur J Med Chem 180: 562-612 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.019
BindingDB Entry DOI: 10.7270/Q2K93BWX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50119621
(CHEMBL3618245)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50351949
(CHEMBL1822054)Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged PI3Kdelta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in ... |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032874
(CHEMBL3355683)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(34.53,-30.97,;35.85,-31.73,;35.85,-33.26,;37.17,-30.97,;38.49,-31.73,;37.17,-29.44,;38.49,-30.19,;15.69,-45.08,;16.46,-43.74,;18,-43.74,;18.77,-45.08,;20.31,-45.08,;21.08,-43.74,;20.31,-42.42,;18.77,-42.42,;22.62,-43.74,;23.39,-45.08,;23.39,-42.42,;24.93,-42.42,;25.7,-43.74,;27.24,-43.74,;28.01,-42.42,;29.55,-42.42,;30.32,-43.74,;29.55,-45.08,;28.01,-45.08,;25.7,-41.08,;25.07,-39.67,;26.21,-38.64,;27.55,-39.42,;28.96,-38.78,;27.23,-40.92,;26.05,-37.11,;27.3,-36.21,;27.14,-34.68,;25.73,-34.05,;25.26,-32.58,;26.16,-31.33,;23.72,-32.58,;23.24,-34.05,;24.49,-34.96,;24.65,-36.49,)| Show InChI InChI=1S/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis at 37 degC by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343213
(CHEMBL1773735 | N-(6-(6-Chloro-5-(2-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(21)23-10-13)26-31(28,29)18-5-3-2-4-14(18)22/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343207
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343206
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343205
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343212
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343209
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343203
(CHEMBL1773604 | N-(6-(6-Chloro-5-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H17ClN4O4S2/c1-12(27)24-21-25-17-8-3-13(10-19(17)31-21)14-9-18(20(22)23-11-14)26-32(28,29)16-6-4-15(30-2)5-7-16/h3-11,26H,1-2H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343210
(CHEMBL1773732 | N-(6-(6-Chloro-5-(4-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(22)23-10-13)26-31(28,29)15-5-3-14(21)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343211
(CHEMBL1773733 | N-(6-(5-(3-tert-Butylphenylsulfona...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-9-8-15(11-21(19)33-23)16-10-20(22(25)26-13-16)29-34(31,32)18-7-5-6-17(12-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343208
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343214
(CHEMBL1773736 | N-(6-(6-Chloro-5-(3-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(21)23-10-13)26-31(28,29)15-4-2-3-14(22)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351952
(CHEMBL1822057)Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H15ClFN5O3S/c1-12(28)24-18-11-27-10-13(2-7-19(27)25-18)14-8-17(20(21)23-9-14)26-31(29,30)16-5-3-15(22)4-6-16/h2-11,26H,1H3,(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343202
(CHEMBL1773603 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H20N4O4S2/c1-13-20(26-32(28,29)18-7-5-17(30-3)6-8-18)10-16(12-23-13)15-4-9-19-21(11-15)31-22(25-19)24-14(2)27/h4-12,26H,1-3H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kdelta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343201
(CHEMBL1773602 | N-(6-(6-Cyano-5-(4-methoxyphenylsu...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C#N)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H17N5O4S2/c1-13(28)25-22-26-18-8-3-14(10-21(18)32-22)15-9-19(20(11-23)24-12-15)27-33(29,30)17-6-4-16(31-2)5-7-17/h3-10,12,27H,1-2H3,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351949
(CHEMBL1822054)Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343204
(CHEMBL1773605 | N-(6-(6-Chloro-5-(phenylsulfonamid...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H15ClN4O3S2/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15/h2-11,25H,1H3,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343197
(CHEMBL1773599 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-19-8-3-14(10-20(19)30-21)15-9-16(12-22-11-15)25-31(27,28)18-6-4-17(29-2)5-7-18/h3-12,25H,1-2H3,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50351949
(CHEMBL1822054)Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged PI3Kgamma expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in ... |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kbeta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50448583
(CHEMBL3127491)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50032873
(CHEMBL3355684)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(F)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(38,-31.47,;39.32,-32.23,;39.32,-33.76,;40.64,-31.46,;41.96,-32.23,;40.64,-29.94,;41.95,-30.68,;15.71,-45.09,;16.47,-43.75,;18.01,-43.75,;18.79,-45.09,;20.33,-45.09,;21.09,-43.75,;20.33,-42.42,;18.79,-42.42,;22.63,-43.75,;23.41,-45.09,;23.41,-42.42,;24.95,-42.42,;25.71,-43.75,;27.25,-43.75,;28.03,-42.42,;29.57,-42.42,;30.33,-43.75,;29.57,-45.09,;28.03,-45.09,;25.71,-41.09,;25.09,-39.68,;26.23,-38.65,;27.56,-39.42,;28.97,-38.79,;27.24,-40.93,;26.07,-37.12,;27.32,-36.22,;27.16,-34.69,;25.75,-34.05,;25.27,-32.59,;26.18,-31.34,;23.73,-32.59,;23.25,-34.05,;24.5,-34.96,;24.66,-36.49,)| Show InChI InChI=1S/C26H30FN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351953
(CHEMBL1822058)Show SMILES Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C18H13ClFN5O2S/c19-18-15(24-28(26,27)14-4-2-13(20)3-5-14)7-12(8-22-18)11-1-6-17-23-16(21)10-25(17)9-11/h1-10,24H,21H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032876
(CHEMBL3355681)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(F)[nH]1)-c1ccc(cc1)C(N)=O |r,wU:18.18,12.14,wD:9.7,(29.83,-22.98,;31.17,-23.75,;31.17,-25.29,;32.5,-22.98,;33.84,-23.75,;33.83,-22.19,;32.5,-21.43,;13.75,-29.96,;15.08,-30.74,;16.42,-29.97,;17.76,-30.75,;19.1,-29.98,;19.09,-28.44,;17.76,-27.67,;16.42,-28.43,;20.42,-27.67,;20.42,-26.13,;21.76,-28.44,;23.09,-27.67,;23.09,-26.13,;24.43,-25.36,;25.76,-26.13,;27.09,-25.36,;27.1,-23.82,;25.75,-23.05,;24.42,-23.82,;24.43,-28.44,;25.83,-27.81,;26.86,-28.95,;26.09,-30.29,;26.72,-31.7,;24.58,-29.97,;28.39,-28.8,;29.01,-27.39,;30.53,-27.23,;31.45,-28.47,;30.82,-29.88,;29.29,-30.04,;32.98,-28.31,;33.89,-29.55,;33.61,-26.9,)| Show InChI InChI=1S/C26H30FN5O2.C2HF3O2/c27-23-22(18-10-12-19(13-11-18)24(29)33)31-25(32-23)21(14-16-4-2-1-3-5-16)30-26(34)20-8-6-17(15-28)7-9-20;3-2(4,5)1(6)7/h1-5,10-13,17,20-21H,6-9,14-15,28H2,(H2,29,33)(H,30,34)(H,31,32);(H,6,7)/t17-,20-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032875
(CHEMBL3355682)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(39.15,-34.6,;40.47,-35.36,;40.47,-36.89,;41.79,-34.6,;43.11,-35.36,;41.79,-33.07,;43.11,-33.82,;26.66,-34.02,;27.43,-35.36,;26.66,-36.68,;25.12,-36.68,;24.35,-38.02,;25.12,-39.35,;26.66,-39.35,;27.43,-38.02,;24.35,-40.69,;22.81,-40.69,;25.12,-42.02,;24.35,-43.36,;22.81,-43.36,;22.04,-44.69,;22.81,-46.02,;22.04,-47.35,;20.5,-47.35,;19.73,-46.02,;20.5,-44.69,;25.12,-44.69,;26.65,-44.85,;26.97,-46.36,;25.64,-47.13,;24.49,-46.1,;28.38,-46.98,;28.54,-48.51,;29.95,-49.15,;31.19,-48.24,;32.7,-48.56,;33.32,-49.96,;33.47,-47.22,;32.44,-46.08,;31.03,-46.71,;29.63,-46.08,)| Show InChI InChI=1S/C26H31N7O.C2HF3O2/c27-14-17-6-8-18(9-7-17)26(34)31-22(12-16-4-2-1-3-5-16)25-29-15-23(30-25)19-10-11-20-21(13-19)32-33-24(20)28;3-2(4,5)1(6)7/h1-5,10-11,13,15,17-18,22H,6-9,12,14,27H2,(H,29,30)(H,31,34)(H3,28,32,33);(H,6,7)/t17-,18-,22-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351955
(CHEMBL1822060)Show SMILES CC(=O)Nc1nc2ccc(cc2[nH]1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H15ClFN5O3S/c1-11(28)24-20-25-16-7-2-12(8-17(16)26-20)13-9-18(19(21)23-10-13)27-31(29,30)15-5-3-14(22)4-6-15/h2-10,27H,1H3,(H2,24,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50351949
(CHEMBL1822054)Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged PI3Kbeta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in p... |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50032877
(CHEMBL3355680)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc(cc1)C(N)=O |r,wU:18.18,12.14,wD:9.7,(29.83,-22.98,;31.17,-23.75,;31.17,-25.29,;32.5,-22.98,;33.84,-23.75,;33.83,-22.19,;32.5,-21.43,;13.75,-29.96,;15.08,-30.74,;16.42,-29.97,;17.76,-30.75,;19.1,-29.98,;19.09,-28.44,;17.76,-27.67,;16.42,-28.43,;20.42,-27.67,;20.42,-26.13,;21.76,-28.44,;23.09,-27.67,;23.09,-26.13,;24.43,-25.36,;25.76,-26.13,;27.09,-25.36,;27.1,-23.82,;25.75,-23.05,;24.42,-23.82,;24.43,-28.44,;25.83,-27.81,;26.86,-28.95,;26.09,-30.29,;26.72,-31.7,;24.58,-29.97,;28.39,-28.8,;29.01,-27.39,;30.53,-27.23,;31.45,-28.47,;30.82,-29.88,;29.29,-30.04,;32.98,-28.31,;33.89,-29.55,;33.61,-26.9,)| Show InChI InChI=1S/C26H30ClN5O2.C2HF3O2/c27-23-22(18-10-12-19(13-11-18)24(29)33)31-25(32-23)21(14-16-4-2-1-3-5-16)30-26(34)20-8-6-17(15-28)7-9-20;3-2(4,5)1(6)7/h1-5,10-13,17,20-21H,6-9,14-15,28H2,(H2,29,33)(H,30,34)(H,31,32);(H,6,7)/t17-,20-,21-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
MMDB
PC cid
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| MMDB
PDB
Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50032874
(CHEMBL3355683)Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.14,wD:9.7,18.17,(34.53,-30.97,;35.85,-31.73,;35.85,-33.26,;37.17,-30.97,;38.49,-31.73,;37.17,-29.44,;38.49,-30.19,;15.69,-45.08,;16.46,-43.74,;18,-43.74,;18.77,-45.08,;20.31,-45.08,;21.08,-43.74,;20.31,-42.42,;18.77,-42.42,;22.62,-43.74,;23.39,-45.08,;23.39,-42.42,;24.93,-42.42,;25.7,-43.74,;27.24,-43.74,;28.01,-42.42,;29.55,-42.42,;30.32,-43.74,;29.55,-45.08,;28.01,-45.08,;25.7,-41.08,;25.07,-39.67,;26.21,-38.64,;27.55,-39.42,;28.96,-38.78,;27.23,-40.92,;26.05,-37.11,;27.3,-36.21,;27.14,-34.68,;25.73,-34.05,;25.26,-32.58,;26.16,-31.33,;23.72,-32.58,;23.24,-34.05,;24.49,-34.96,;24.65,-36.49,)| Show InChI InChI=1S/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/m0./s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate |
J Med Chem 57: 9915-32 (2014)
Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50150093
(CHEMBL340873 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...)Show InChI InChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2 | PDB
KEGG
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ISF College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of 5HT transporter (unknown origin) |
Eur J Med Chem 180: 562-612 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.019
BindingDB Entry DOI: 10.7270/Q2K93BWX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50119621
(CHEMBL3618245)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351947
(CHEMBL1822052)Show SMILES Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C18H12ClFN4O2S2/c19-17-15(24-28(25,26)13-4-2-12(20)3-5-13)7-11(9-22-17)10-1-6-14-16(8-10)27-18(21)23-14/h1-9,24H,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119613
(CHEMBL3618237)Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2cccc3[nH]ncc23)nc2ccccn12 Show InChI InChI=1S/C18H15N9/c1-10-21-16(25-18(19)22-10)15-17(24-14-7-2-3-8-27(14)15)23-12-5-4-6-13-11(12)9-20-26-13/h2-9,23H,1H3,(H,20,26)(H2,19,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119614
(CHEMBL3618238)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)N2CCNCC2)cc1F Show InChI InChI=1S/C184H310N50O55/c1-26-30-48-108(206-152(261)109(49-34-39-72-185)207-156(265)114(54-44-77-199-181(193)194)212-170(279)127(82-96(11)12)229-179(288)183(24,88-97(13)14)233-175(284)129(84-107-90-197-92-201-107)225-171(280)128(83-106-46-32-31-33-47-106)224-174(283)133(91-235)228-169(278)126(81-95(9)10)223-173(282)131(86-143(253)254)204-105(23)237)165(274)230-146(100(18)28-3)178(287)220-123(63-71-142(251)252)166(275)231-147(101(19)29-4)177(286)219-122(62-70-141(249)250)163(272)211-110(50-35-40-73-186)153(262)214-117(57-65-135(190)239)159(268)218-120(60-68-139(245)246)161(270)210-111(51-36-41-74-187)154(263)216-119(59-67-138(243)244)160(269)209-112(52-37-42-75-188)155(264)217-121(61-69-140(247)248)162(271)215-118(58-66-137(241)242)151(260)203-102(20)149(258)202-103(21)150(259)205-116(56-64-134(189)238)164(273)226-130(85-136(191)240)172(281)213-115(55-45-78-200-182(195)196)157(266)208-113(53-38-43-76-198-104(22)236)158(267)221-124(79-93(5)6)167(276)222-125(80-94(7)8)168(277)227-132(87-144(255)256)176(285)234-184(25,89-98(15)16)180(289)232-145(148(192)257)99(17)27-2/h31-33,46-47,90,92-103,108-133,145-147,235H,26-30,34-45,48-89,91,185-188H2,1-25H3,(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,257)(H,197,201)(H,198,236)(H,202,258)(H,203,260)(H,204,237)(H,205,259)(H,206,261)(H,207,265)(H,208,266)(H,209,269)(H,210,270)(H,211,272)(H,212,279)(H,213,281)(H,214,262)(H,215,271)(H,216,263)(H,217,264)(H,218,268)(H,219,286)(H,220,287)(H,221,267)(H,222,276)(H,223,282)(H,224,283)(H,225,280)(H,226,273)(H,227,277)(H,228,278)(H,229,288)(H,230,274)(H,231,275)(H,232,289)(H,233,284)(H,234,285)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,193,194,199)(H4,195,196,200)/t99?,100?,101?,102-,103-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128?,129-,130-,131-,132-,133-,145?,146-,147-,183+,184+/m0/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
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50351951
(CHEMBL1822056)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccn2n1 Show InChI InChI=1S/C17H11ClFN5O2S/c18-17-15(23-27(25,26)13-3-1-12(19)2-4-13)9-11(10-21-17)14-5-6-16-20-7-8-24(16)22-14/h1-10,23H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP |
J Med Chem 54: 5174-84 (2011)
Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119619
(CHEMBL3618243)Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)N2CCN(CC2)C(=O)N(C)C)cc1F Show InChI InChI=1S/C185H312N50O53/c1-26-30-48-108(205-152(259)109(49-34-39-72-186)206-157(264)114(54-44-77-200-182(194)195)212-171(278)128(83-98(13)14)230-180(287)184(24,89-99(15)16)234-176(283)130(85-107-91-198-93-202-107)227-172(279)129(84-106-46-32-31-33-47-106)226-175(282)134(92-236)229-170(277)127(82-97(11)12)225-174(281)132(87-144(252)253)204-105(23)237)165(272)231-147(102(20)28-3)179(286)220-123(63-71-143(250)251)166(273)232-148(103(21)29-4)178(285)219-122(62-70-142(248)249)164(271)209-110(50-35-40-73-187)154(261)213-116(56-64-135(190)238)160(267)218-120(60-68-140(244)245)162(269)208-111(51-36-41-74-188)155(262)216-119(59-67-139(242)243)161(268)207-112(52-37-42-75-189)156(263)217-121(61-69-141(246)247)163(270)214-117(57-65-136(191)239)159(266)215-118-58-66-138(241)199-76-43-38-53-113(211-173(280)131(86-137(192)240)221-150(257)104(22)203-151(118)258)153(260)210-115(55-45-78-201-183(196)197)158(265)222-124(79-94(5)6)167(274)223-125(80-95(7)8)168(275)224-126(81-96(9)10)169(276)228-133(88-145(254)255)177(284)235-185(25,90-100(17)18)181(288)233-146(149(193)256)101(19)27-2/h31-33,46-47,91,93-104,108-134,146-148,236H,26-30,34-45,48-90,92,186-189H2,1-25H3,(H2,190,238)(H2,191,239)(H2,192,240)(H2,193,256)(H,198,202)(H,199,241)(H,203,258)(H,204,237)(H,205,259)(H,206,264)(H,207,268)(H,208,269)(H,209,271)(H,210,260)(H,211,280)(H,212,278)(H,213,261)(H,214,270)(H,215,266)(H,216,262)(H,217,263)(H,218,267)(H,219,285)(H,220,286)(H,221,257)(H,222,265)(H,223,274)(H,224,275)(H,225,281)(H,226,282)(H,227,279)(H,228,276)(H,229,277)(H,230,287)(H,231,272)(H,232,273)(H,233,288)(H,234,283)(H,235,284)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,194,195,200)(H4,196,197,201)/t101?,102?,103?,104-,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118?,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129-,130+,131+,132+,133+,134+,146-,147+,148+,184-,185-/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
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
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