Found 531 hits with Last Name = 'kemper' and Initial = 'r' 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 |
|---|
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50433561
(CHEMBL2381408)Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)| Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/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
| PDB
Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant human His6-tagged HDM2 (1 to 118 residues) assessed as reduction in PMDM6-F binding incubated for 15 to 30 mins by fl... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01524
BindingDB Entry DOI: 10.7270/Q2Z03D1V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581560
(CHEMBL5090501)Show SMILES Fc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(23.91,-32.68,;24.81,-31.43,;26.35,-31.43,;26.83,-29.97,;25.58,-29.06,;24.34,-29.97,;25.58,-27.52,;26.67,-26.43,;25.58,-25.35,;24.49,-26.43,;25.58,-23.81,;26.92,-23.04,;26.91,-21.49,;28.24,-20.72,;29.58,-21.48,;31.06,-21.07,;31.47,-22.56,;29.98,-22.96,;32.8,-23.32,;32.96,-24.85,;34.47,-25.16,;35.24,-23.83,;34.2,-22.68,;25.58,-20.73,;24.25,-21.5,;24.25,-23.04,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581564
(CHEMBL5092963)Show SMILES C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(31.82,-5.44,;30.33,-5.86,;30.73,-7.33,;32.22,-6.93,;33.56,-7.7,;34.96,-7.06,;35.99,-8.2,;35.23,-9.54,;33.72,-9.22,;29,-5.09,;27.67,-5.87,;27.67,-7.42,;26.33,-8.19,;25,-7.42,;25,-5.87,;26.33,-5.1,;26.33,-9.73,;25,-10.48,;24.99,-12.02,;26.32,-12.8,;27.66,-12.03,;27.67,-10.48,;28.99,-12.8,;28.98,-14.34,;30.3,-15.12,;31.64,-14.35,;31.64,-12.81,;30.31,-12.04,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512300
(CHEMBL4575012)Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H30N8O2/c1-4-30-14(2)17(11-25-30)20-27-18-19(23-13-24-21(18)28(20)3)26-16-5-8-29(12-16)22(31)15-6-9-32-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,23,24,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581561
(CHEMBL5075747)Show SMILES Fc1cnn(c1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(65.28,-33.26,;64.37,-32.01,;62.83,-32.01,;62.36,-30.55,;63.59,-29.64,;64.85,-30.55,;63.6,-28.1,;64.68,-27.02,;63.6,-25.94,;62.51,-27.02,;63.6,-24.4,;64.93,-23.62,;64.93,-22.07,;66.26,-21.3,;67.6,-22.06,;69.08,-21.65,;69.48,-23.14,;68,-23.54,;70.82,-23.9,;70.98,-25.43,;72.49,-25.74,;73.25,-24.41,;72.22,-23.27,;63.59,-21.31,;62.27,-22.08,;62.26,-23.63,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512313
(CHEMBL4435694)Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r| Show InChI InChI=1S/C20H26N8O/c1-4-28-12(2)15(9-23-28)18-25-16-17(21-11-22-19(16)26(18)3)24-14-7-8-27(10-14)20(29)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,22,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512302
(CHEMBL4441262)Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r| Show InChI InChI=1S/C19H26N8O/c1-5-15(28)26-8-7-13(10-26)23-17-16-19(21-11-20-17)25(4)18(24-16)14-9-22-27(6-2)12(14)3/h9,11,13H,5-8,10H2,1-4H3,(H,20,21,23)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581562
(CHEMBL5081977)Show SMILES Clc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(42.51,-33.26,;43.42,-32.01,;44.96,-32.01,;45.43,-30.55,;44.18,-29.64,;42.94,-30.55,;44.18,-28.1,;45.27,-27.02,;44.18,-25.94,;43.09,-27.02,;44.18,-24.4,;45.52,-23.62,;45.52,-22.07,;46.85,-21.3,;48.18,-22.06,;49.67,-21.65,;50.07,-23.14,;48.59,-23.54,;51.41,-23.9,;51.57,-25.43,;53.08,-25.74,;53.84,-24.41,;52.81,-23.27,;44.18,-21.31,;42.85,-22.08,;42.85,-23.63,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512303
(CHEMBL4582480)Show SMILES CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C22H32N8O2/c1-7-17(22(31)29-10-13(3)32-14(4)11-29)26-19-18-21(24-12-23-19)28(6)20(27-18)16-9-25-30(8-2)15(16)5/h9,12-14,17H,7-8,10-11H2,1-6H3,(H,23,24,26)/t13-,14+,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581563
(CHEMBL5093558) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512301
(CHEMBL4570812)Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512309
(CHEMBL4546631)Show SMILES CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C Show InChI InChI=1S/C20H28N8O/c1-6-28-13(4)15(8-23-28)19-25-17-18(21-11-22-20(17)26(19)5)24-14-7-16(29)27(10-14)9-12(2)3/h8,11-12,14H,6-7,9-10H2,1-5H3,(H,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396463
(CHEMBL2170611)Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26) | PDB
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581569
(CHEMBL5085396)Show SMILES C1[C@@H](C[C@@H]1c1ncco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(10.83,-4.86,;9.34,-5.27,;9.74,-6.75,;11.23,-6.35,;12.57,-7.11,;12.73,-8.64,;14.23,-8.95,;15,-7.62,;13.96,-6.48,;8.01,-4.51,;6.67,-5.28,;6.68,-6.83,;5.34,-7.6,;4.01,-6.83,;4.01,-5.29,;5.34,-4.52,;5.34,-9.14,;4.01,-9.9,;4,-11.44,;5.33,-12.21,;6.67,-11.45,;6.68,-9.9,;8,-12.22,;7.98,-13.76,;9.31,-14.54,;10.65,-13.77,;10.65,-12.22,;9.32,-11.45,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512310
(CHEMBL4468074)Show SMILES CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C20H28N8O2/c1-5-15(20(29)27-7-9-30-10-8-27)24-17-16-19(22-12-21-17)26(4)18(25-16)14-11-23-28(6-2)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,21,22,24)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM333914
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r| Show InChI InChI=1S/C20H25N7O2/c1-4-27-12(2)15(9-23-27)17-24-16-18(25(17)3)21-11-22-19(16)29-14-7-8-26(10-14)20(28)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396469
(CHEMBL2170610)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512295
(CHEMBL4447337)Show SMILES CCn1ncc(c1C)-c1nc2c(ncnc2n1C)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581566
(CHEMBL5079831) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581565
(CHEMBL5091893) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581567
(CHEMBL5088572) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581568
(CHEMBL5091423)Show SMILES C1[C@@H](C[C@@H]1n1ccnn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(78.16,-44.31,;76.67,-44.72,;77.07,-46.2,;78.56,-45.79,;79.9,-46.56,;81.3,-45.92,;82.34,-47.06,;81.57,-48.4,;80.07,-48.09,;75.34,-43.95,;74.01,-44.73,;74.01,-46.28,;72.67,-47.05,;71.34,-46.28,;71.34,-44.74,;72.67,-43.97,;72.67,-48.59,;71.34,-49.35,;71.33,-50.88,;72.66,-51.66,;74,-50.89,;74.01,-49.35,;75.33,-51.67,;75.32,-53.21,;76.64,-53.98,;77.98,-53.22,;77.98,-51.67,;76.65,-50.9,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581570
(CHEMBL5082929)Show SMILES C1[C@@H](C[C@@H]1c1nnco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.10,3.4,wD:20.25,(48.73,-5.5,;47.25,-5.91,;47.65,-7.39,;49.14,-6.99,;50.47,-7.75,;50.64,-9.28,;52.14,-9.59,;52.91,-8.25,;51.87,-7.11,;45.91,-5.14,;44.58,-5.92,;44.59,-7.47,;43.25,-8.24,;41.92,-7.47,;41.92,-5.93,;43.25,-5.16,;43.25,-9.78,;41.91,-10.54,;41.91,-12.07,;43.24,-12.85,;44.58,-12.08,;44.59,-10.54,;45.91,-12.86,;45.89,-14.4,;47.22,-15.17,;48.56,-14.41,;48.56,-12.86,;47.23,-12.09,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512307
(CHEMBL4483321)Show SMILES CCC(=O)N1CCC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r| Show InChI InChI=1S/C20H28N8O/c1-5-16(29)27-9-7-8-14(11-27)24-18-17-20(22-12-21-18)26(4)19(25-17)15-10-23-28(6-2)13(15)3/h10,12,14H,5-9,11H2,1-4H3,(H,21,22,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581571
(CHEMBL5084780)Show SMILES C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)[C@H]1C[C@@H](C1)n1cccn1 |r,wU:1.10,3.4,16.18,wD:18.23,(13.16,-20.32,;11.68,-20.73,;12.08,-22.21,;13.56,-21.8,;14.9,-22.57,;15.06,-24.09,;16.57,-24.41,;17.33,-23.07,;16.3,-21.93,;10.34,-19.96,;9.01,-20.74,;9.01,-22.29,;7.68,-23.06,;6.34,-22.29,;6.34,-20.74,;7.67,-19.97,;7.68,-24.6,;8.76,-25.68,;7.67,-26.77,;6.59,-25.68,;7.67,-28.31,;8.93,-29.21,;8.45,-30.68,;6.91,-30.68,;6.43,-29.21,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396471
(CHEMBL2170608)Show SMILES COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O3/c1-27-9-14(25)24-6-4-10(5-7-24)12-3-2-11(15(26)23-16(21)22)8-13(12)17(18,19)20/h2-3,8,10H,4-7,9H2,1H3,(H4,21,22,23,26) | PDB
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512305
(CHEMBL4462856)Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CC[C@H](C3)C(=O)N3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H30N8O2/c1-4-30-14(2)17(12-25-30)20-27-18-19(23-13-24-21(18)28(20)3)26-16-6-5-15(11-16)22(31)29-7-9-32-10-8-29/h12-13,15-16H,4-11H2,1-3H3,(H,23,24,26)/t15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396470
(CHEMBL2170609)Show SMILES CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-2-14(25)24-7-5-10(6-8-24)12-4-3-11(15(26)23-16(21)22)9-13(12)17(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H4,21,22,23,26) | PDB
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596154
(CHEMBL5169448) | Reactome pathway
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581572
(CHEMBL5084384) | Reactome pathway
KEGG
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 |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512313
(CHEMBL4435694)Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r| Show InChI InChI=1S/C20H26N8O/c1-4-28-12(2)15(9-23-28)18-25-16-17(21-11-22-19(16)26(18)3)24-14-7-8-27(10-14)20(29)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,22,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396435
(CHEMBL2170617)Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C19H21F3N6O2/c1-27-9-6-25-15(27)17(30)28-7-4-11(5-8-28)13-3-2-12(16(29)26-18(23)24)10-14(13)19(20,21)22/h2-3,6,9-11H,4-5,7-8H2,1H3,(H4,23,24,26,29) | PDB
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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396436
(CHEMBL2170615)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)17-11-14(18(30)28-20(25)26)3-6-16(17)12-7-9-29(10-8-12)19(31)13-1-4-15(5-2-13)34(27,32)33/h1-6,11-12H,7-10H2,(H2,27,32,33)(H4,25,26,28,30) | PDB
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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50581573
(CHEMBL5084868)Show SMILES C1[C@@H](C[C@@H]1c1ccccc1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1 |r,wU:1.11,3.4,wD:21.26,(60.2,-45.19,;58.72,-45.6,;59.12,-47.08,;60.61,-46.68,;61.94,-47.44,;61.94,-48.98,;63.27,-49.75,;64.61,-48.97,;64.59,-47.42,;63.26,-46.66,;57.38,-44.84,;56.05,-45.61,;56.06,-47.16,;54.72,-47.93,;53.38,-47.16,;53.39,-45.62,;54.72,-44.85,;54.72,-49.47,;53.38,-50.23,;53.38,-51.77,;54.71,-52.54,;56.05,-51.78,;56.05,-50.23,;57.38,-52.55,;57.36,-54.09,;58.69,-54.87,;60.03,-54.1,;60.03,-52.55,;58.7,-51.78,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00948
BindingDB Entry DOI: 10.7270/Q2FF3X7K |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396464
(CHEMBL2170603)Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C17H24N4O4S/c1-10-8-14(12-4-6-21(7-5-12)11(2)22)15(26(3,24)25)9-13(10)16(23)20-17(18)19/h8-9,12H,4-7H2,1-3H3,(H4,18,19,20,23) | PDB
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396465
(CHEMBL2169894)Show SMILES CCC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C18H26N4O4S/c1-4-16(23)22-7-5-12(6-8-22)14-9-11(2)13(17(24)21-18(19)20)10-15(14)27(3,25)26/h9-10,12H,4-8H2,1-3H3,(H4,19,20,21,24) | PDB
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512308
(CHEMBL4474475)Show SMILES CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H29N7O2S/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396443
(CHEMBL2170632)Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C22H23F3N4O4S/c1-34(32,33)16-5-2-14(3-6-16)20(31)29-10-8-13(9-11-29)17-7-4-15(19(30)28-21(26)27)12-18(17)22(23,24)25/h2-7,12-13H,8-11H2,1H3,(H4,26,27,28,30) | PDB
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512300
(CHEMBL4575012)Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H30N8O2/c1-4-30-14(2)17(11-25-30)20-27-18-19(23-13-24-21(18)28(20)3)26-16-5-8-29(12-16)22(31)15-6-9-32-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,23,24,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396472
(CHEMBL2170607)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)C2CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O2/c19-18(20,21)14-9-12(15(26)24-17(22)23)3-4-13(14)10-5-7-25(8-6-10)16(27)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H4,22,23,24,26) | PDB
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512311
(CHEMBL4483370)Show SMILES CCn1ncc(c1C)-c1nc2c(NC3CN(C3)C(=O)C3CCOCC3)ncnc2n1C Show InChI InChI=1S/C21H28N8O2/c1-4-29-13(2)16(9-24-29)19-26-17-18(22-12-23-20(17)27(19)3)25-15-10-28(11-15)21(30)14-5-7-31-8-6-14/h9,12,14-15H,4-8,10-11H2,1-3H3,(H,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... |
J Med Chem 62: 4370-4382 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01818
BindingDB Entry DOI: 10.7270/Q2V98CDF |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596176
(CHEMBL5185729)Show SMILES Fc1cncc(c1)-n1ccc(NC(=O)C2(CC2)c2c(F)cccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Elongation of very long chain fatty acids protein 1
(Homo sapiens (Human)) | BDBM50596133
(CHEMBL5081193)Show SMILES Fc1cc(ccn1)-n1ccc(NC(=O)C2(CC2)c2ccccc2F)n1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00944
BindingDB Entry DOI: 10.7270/Q22R3WPP |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396439
(CHEMBL2170637)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccn2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)15-11-13(17(29)27-19(24)25)4-5-14(15)12-6-9-28(10-7-12)18(30)16-3-1-2-8-26-16/h1-5,8,11-12H,6-7,9-10H2,(H4,24,25,27,29) | PDB
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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
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