Found 736 hits with Last Name = 'plonowski' and Initial = 'a' 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 |
|---|
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204085
(CHEMBL3960606)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204079
(CHEMBL3935187)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204078
(CHEMBL3926292)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204077
(CHEMBL3944154)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204076
(CHEMBL3890276)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204075
(CHEMBL3980683)Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204072
(CHEMBL3945199)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204081
(CHEMBL3913162)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204082
(CHEMBL3945820)Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204083
(CHEMBL3941775)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204073
(CHEMBL3917300)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204071
(CHEMBL3953927)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034775
(CHEMBL3360975)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204076
(CHEMBL3890276)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204082
(CHEMBL3945820)Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204078
(CHEMBL3926292)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204072
(CHEMBL3945199)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204085
(CHEMBL3960606)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204079
(CHEMBL3935187)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204080
(CHEMBL3963566)Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50204074
(CHEMBL3910597)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204074
(CHEMBL3910597)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204071
(CHEMBL3953927)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204077
(CHEMBL3944154)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034775
(CHEMBL3360975)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204073
(CHEMBL3917300)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204081
(CHEMBL3913162)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204075
(CHEMBL3980683)Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204083
(CHEMBL3941775)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50204080
(CHEMBL3963566)Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
(Homo sapiens (Human)) | BDBM50272192
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394812
(CHEMBL2163838)Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H27Cl4N3O2/c1-30(2)10-11-31(3)22(32)21(12-15-4-5-16(25)13-19(15)27)29-23(33)24(8-9-24)18-7-6-17(26)14-20(18)28/h4-7,13-14,21H,8-12H2,1-3H3,(H,29,33)/t21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394820
(CHEMBL2163829)Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394804
(CHEMBL2163828)Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H29BrF3N3O3/c28-18-5-1-16(2-6-18)13-23(24(35)34-20-7-8-21(34)15-19(32)14-20)33-25(36)26(11-12-26)17-3-9-22(10-4-17)37-27(29,30)31/h1-6,9-10,19-21,23H,7-8,11-15,32H2,(H,33,36)/t19?,20-,21+,23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50356090
(CHEMBL1911678)Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394807
(CHEMBL2163825)Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50356091
(CHEMBL1911679)Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50167916
(CHEMBL3798615)Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo... |
Bioorg Med Chem Lett 26: 2774-2778 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394816
(CHEMBL2163833)Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26Cl3N3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-4-17(25)5-3-16)28-23(32)24(8-9-24)19-7-6-18(26)15-20(19)27/h2-7,15,21H,8-14H2,1H3,(H,28,32)/t21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394806
(CHEMBL2163826)Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H28BrCl2N3O2/c27-16-3-1-15(2-4-16)11-23(24(33)32-19-6-7-20(32)14-18(30)13-19)31-25(34)26(9-10-26)21-8-5-17(28)12-22(21)29/h1-5,8,12,18-20,23H,6-7,9-11,13-14,30H2,(H,31,34)/t18?,19-,20+,23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394805
(CHEMBL2163827)Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H28Cl2F3N3O3/c28-17-4-1-15(22(29)12-17)11-23(24(36)35-19-5-6-20(35)14-18(33)13-19)34-25(37)26(9-10-26)16-2-7-21(8-3-16)38-27(30,31)32/h1-4,7-8,12,18-20,23H,5-6,9-11,13-14,33H2,(H,34,37)/t18?,19-,20+,23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394809
(CHEMBL2163823)Show SMILES NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26BrCl2N3O2/c25-16-3-1-15(2-4-16)13-21(22(31)30-11-7-18(28)8-12-30)29-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21H,7-13,28H2,(H,29,32)/t21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
(Homo sapiens (Human)) | BDBM50383714
(CHEMBL2030402)Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r| Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
(Homo sapiens (Human)) | BDBM50383736
(CHEMBL2030400)Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair | |
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
(Homo sapiens (Human)) | BDBM50383727
(CHEMBL2030389)Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(7-9)13-14(21-11)15(20)18-12(17-13)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,17,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PIM
(Homo sapiens (Human)) | BDBM50383711
(CHEMBL2030387)Show SMILES N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair | |
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
(Homo sapiens (Human)) | BDBM50383740
(CHEMBL2030405)Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1 |r| Show InChI InChI=1S/C15H14FN3O3/c1-21-8-2-3-11-9(5-8)12-13(22-11)15(20)19-14(18-12)10-4-7(16)6-17-10/h2-3,5,7,10,17H,4,6H2,1H3,(H,18,19,20)/t7-,10+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP |
Bioorg Med Chem Lett 22: 3727-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0 |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50167915
(CHEMBL3798727)Show InChI InChI=1S/C15H9F3N4/c16-15(17,18)10-5-11(12-7-20-21-13(12)6-10)9-1-2-14-19-3-4-22(14)8-9/h1-8H,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo... |
Bioorg Med Chem Lett 26: 2774-2778 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50167926
(CHEMBL3798871)Show SMILES OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F Show InChI InChI=1S/C17H13F4N3O2/c18-14-5-9(16(26)22-3-4-25)1-2-11(14)12-6-10(17(19,20)21)7-15-13(12)8-23-24-15/h1-2,5-8,25H,3-4H2,(H,22,26)(H,23,24) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo... |
Bioorg Med Chem Lett 26: 2774-2778 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T |
More data for this
Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394811
(CHEMBL2163839)Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H28BrCl2N3O2/c1-29(2)12-13-30(3)22(31)21(14-16-4-6-17(25)7-5-16)28-23(32)24(10-11-24)19-9-8-18(26)15-20(19)27/h4-9,15,21H,10-14H2,1-3H3,(H,28,32)/t21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this
Ligand-Target Pair | |
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