Found 279 hits with Last Name = 'hirth' and Initial = 'b' 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 |
|---|
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50383265
(CHEMBL2032368)Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc2ccc(NC3CCCCC3)nn12 Show InChI InChI=1S/C18H18F3N5/c19-18(20,21)13-8-6-12(7-9-13)17-24-23-16-11-10-15(25-26(16)17)22-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo... |
J Med Chem 55: 2641-8 (2012)
Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Mus musculus) | BDBM50561654
(CHEMBL4785914)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of mouse UGT8 assessed as redcution in GalCer accumulation |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561654
(CHEMBL4785914)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561654
(CHEMBL4785914)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Mus musculus) | BDBM50561654
(CHEMBL4785914)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
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 mouse UGT8 assessed as redcution in SFT accumulation |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561671
(CHEMBL4796521)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| 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 UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561669
(CHEMBL4787939)Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| 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 UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50383272
(CHEMBL2032375)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1cccc(C=C2SC(O)=NC2=O)c1 |r,w:19.20,wU:4.7,wD:1.0,c:25,(23.62,-22.34,;23.63,-20.8,;24.96,-20.02,;24.96,-18.48,;23.62,-17.72,;22.29,-18.49,;22.29,-20.02,;23.62,-16.18,;22.28,-15.42,;20.95,-16.2,;19.61,-15.42,;19.61,-13.89,;20.95,-13.12,;22.28,-13.88,;20.95,-11.58,;19.61,-10.81,;19.61,-9.27,;20.94,-8.5,;22.28,-9.26,;23.61,-8.48,;24.94,-9.25,;24.92,-10.78,;26.38,-11.28,;26.84,-12.75,;27.3,-10.05,;26.42,-8.79,;26.91,-7.33,;22.28,-10.81,)| Show InChI InChI=1S/C20H21N5O2S/c21-14-4-6-15(7-5-14)23-18-11-22-10-16(24-18)13-3-1-2-12(8-13)9-17-19(26)25-20(27)28-17/h1-3,8-11,14-15H,4-7,21H2,(H,23,24)(H,25,26,27)/t14-,15- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo... |
J Med Chem 55: 2641-8 (2012)
Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561671
(CHEMBL4796521)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561669
(CHEMBL4787939)Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561670
(CHEMBL4750073)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561664
(CHEMBL4776963)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345259
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)| Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561670
(CHEMBL4750073)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F |r| | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561672
(CHEMBL4750432)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561663
(CHEMBL4765010)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561663
(CHEMBL4765010)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561672
(CHEMBL4750432)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561664
(CHEMBL4776963)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50345259
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)| Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323215
((2S,3S)-N-((S)-1-(4-(5-(2-cyclohexylethyl)-1,2,4-o...)Show SMILES CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C24H34N4O3/c1-2-19(26-24(30)22-20(29)14-15-25-22)17-9-11-18(12-10-17)23-27-21(31-28-23)13-8-16-6-4-3-5-7-16/h9-12,16,19-20,22,25,29H,2-8,13-15H2,1H3,(H,26,30)/t19-,20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561665
(CHEMBL4755797)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345260
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:1.0,wD:4.7,(48.98,-16.4,;50.31,-15.63,;50.32,-14.09,;51.64,-13.33,;52.97,-14.1,;52.98,-15.64,;51.64,-16.4,;54.3,-13.33,;54.3,-11.79,;52.96,-11.02,;52.97,-9.48,;51.63,-8.71,;54.29,-8.71,;55.63,-9.47,;57.09,-8.99,;58,-10.23,;57.1,-11.48,;55.64,-11.01,;59.54,-10.22,;60.32,-11.55,;60.3,-8.88,)| Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11- | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323216
((2S,3S)-N-((S)-1-(4-(5-(2-cyclohexylethyl)-1,2,4-o...)Show SMILES C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C23H32N4O3/c1-15(25-23(29)21-19(28)13-14-24-21)17-8-10-18(11-9-17)22-26-20(30-27-22)12-7-16-5-3-2-4-6-16/h8-11,15-16,19,21,24,28H,2-7,12-14H2,1H3,(H,25,29)/t15-,19-,21-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345250
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50345245
(CHEMBL1782516 | trans-5-(6-(4-(aminomethyl)cyclohe...)Show SMILES NC[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1ccc2oc(cc2c1)C(O)=O |r,wU:5.8,wD:2.1,(-10.87,-26.04,;-9.53,-25.27,;-8.19,-26.04,;-8.19,-27.58,;-6.85,-28.36,;-5.52,-27.57,;-5.53,-26.04,;-6.86,-25.28,;-4.19,-28.34,;-2.86,-27.56,;-2.86,-26.02,;-1.53,-25.25,;-.2,-26.02,;-.2,-27.56,;-1.53,-28.33,;1.13,-28.32,;1.13,-29.87,;2.46,-30.64,;3.8,-29.86,;5.26,-30.33,;6.16,-29.08,;5.25,-27.83,;3.79,-28.32,;2.46,-27.56,;7.7,-29.07,;8.48,-30.39,;8.46,-27.73,)| Show InChI InChI=1S/C20H22N4O3/c21-9-12-1-4-15(5-2-12)23-19-11-22-10-16(24-19)13-3-6-17-14(7-13)8-18(27-17)20(25)26/h3,6-8,10-12,15H,1-2,4-5,9,21H2,(H,23,24)(H,25,26)/t12-,15- | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM26626
((5Z)-5-{[3-(trifluoromethyl)phenyl]methylidene}-1,...)Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo... |
J Med Chem 55: 2641-8 (2012)
Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323223
((2S,3S)-N-(4-(5-(2-cyclohexylethyl)-1,2,4-oxadiazo...)Show SMILES O[C@H]1CCN[C@@H]1C(=O)NCc1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C22H30N4O3/c27-18-12-13-23-20(18)22(28)24-14-16-6-9-17(10-7-16)21-25-19(29-26-21)11-8-15-4-2-1-3-5-15/h6-7,9-10,15,18,20,23,27H,1-5,8,11-14H2,(H,24,28)/t18-,20-/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323219
((2S,3S)-N-((S)-1-(4-(5-heptyl-1,2,4-oxadiazol-3-yl...)Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)[C@H](CC)NC(=O)[C@H]1NCC[C@@H]1O |r| Show InChI InChI=1S/C23H34N4O3/c1-3-5-6-7-8-9-20-26-22(27-30-20)17-12-10-16(11-13-17)18(4-2)25-23(29)21-19(28)14-15-24-21/h10-13,18-19,21,24,28H,3-9,14-15H2,1-2H3,(H,25,29)/t18-,19-,21-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561665
(CHEMBL4755797)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F | NCI pathway
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345253
(5-bromo-7-(2-(piperidin-4-yl)ethylamino)benzofuran...)Show InChI InChI=1S/C16H19BrN2O3/c17-12-7-11-8-14(16(20)21)22-15(11)13(9-12)19-6-3-10-1-4-18-5-2-10/h7-10,18-19H,1-6H2,(H,20,21) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561667
(CHEMBL4757982)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F | NCI pathway
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| PC cid
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| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561667
(CHEMBL4757982)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F | NCI pathway
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| PC cid
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323220
((2S,3S)-N-((S)-1-(4-(5-heptyl-1,2,4-oxadiazol-3-yl...)Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)[C@H](C)NC(=O)[C@H]1NCC[C@@H]1O |r| Show InChI InChI=1S/C22H32N4O3/c1-3-4-5-6-7-8-19-25-21(26-29-19)17-11-9-16(10-12-17)15(2)24-22(28)20-18(27)13-14-23-20/h9-12,15,18,20,23,27H,3-8,13-14H2,1-2H3,(H,24,28)/t15-,18-,20-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323231
((2S,3S)-N-(4-(5-hexyl-1,2,4-oxadiazol-3-yl)benzyl)...)Show SMILES CCCCCCc1nc(no1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-5-6-17-23-19(24-27-17)15-9-7-14(8-10-15)13-22-20(26)18-16(25)11-12-21-18/h7-10,16,18,21,25H,2-6,11-13H2,1H3,(H,22,26)/t16-,18-/m0/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50209188
(6-(2-Hydroxy-phenyl)-2-oxo-4-phenyl-1,2-dihydro-py...)Show InChI InChI=1S/C18H12N2O2/c19-11-15-14(12-6-2-1-3-7-12)10-16(20-18(15)22)13-8-4-5-9-17(13)21/h1-10,21H,(H,20,22) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo... |
J Med Chem 55: 2641-8 (2012)
Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50299323
((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...)Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1 | PDB
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Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human sphingosine kinase 1 by off chip mobility shift assay |
Bioorg Med Chem Lett 19: 6119-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.022
BindingDB Entry DOI: 10.7270/Q29Z94ZP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345251
(5-bromo-7-(2-(piperidin-4-yl)ethoxy)benzofuran-2-c...)Show InChI InChI=1S/C16H18BrNO4/c17-12-7-11-8-14(16(19)20)22-15(11)13(9-12)21-6-3-10-1-4-18-5-2-10/h7-10,18H,1-6H2,(H,19,20) | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345245
(CHEMBL1782516 | trans-5-(6-(4-(aminomethyl)cyclohe...)Show SMILES NC[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1ccc2oc(cc2c1)C(O)=O |r,wU:5.8,wD:2.1,(-10.87,-26.04,;-9.53,-25.27,;-8.19,-26.04,;-8.19,-27.58,;-6.85,-28.36,;-5.52,-27.57,;-5.53,-26.04,;-6.86,-25.28,;-4.19,-28.34,;-2.86,-27.56,;-2.86,-26.02,;-1.53,-25.25,;-.2,-26.02,;-.2,-27.56,;-1.53,-28.33,;1.13,-28.32,;1.13,-29.87,;2.46,-30.64,;3.8,-29.86,;5.26,-30.33,;6.16,-29.08,;5.25,-27.83,;3.79,-28.32,;2.46,-27.56,;7.7,-29.07,;8.48,-30.39,;8.46,-27.73,)| Show InChI InChI=1S/C20H22N4O3/c21-9-12-1-4-15(5-2-12)23-19-11-22-10-16(24-19)13-3-6-17-14(7-13)8-18(27-17)20(25)26/h3,6-8,10-12,15H,1-2,4-5,9,21H2,(H,23,24)(H,25,26)/t12-,15- | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50345242
(CHEMBL1782513 | trans-5-(6-(4-aminocyclohexylamino...)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1ccc2oc(cc2c1)C(O)=O |r,wU:4.7,wD:1.0,(18.96,-16.61,;20.29,-17.38,;20.29,-18.92,;21.63,-19.69,;22.95,-18.91,;22.95,-17.38,;21.62,-16.61,;24.29,-19.68,;25.62,-18.9,;25.61,-17.36,;26.94,-16.59,;28.28,-17.36,;28.27,-18.9,;26.95,-19.66,;29.6,-19.66,;29.6,-21.21,;30.93,-21.98,;32.27,-21.2,;33.74,-21.67,;34.64,-20.41,;33.72,-19.17,;32.26,-19.66,;30.93,-18.89,;36.18,-20.41,;36.95,-21.73,;36.94,-19.07,)| Show InChI InChI=1S/C19H20N4O3/c20-13-2-4-14(5-3-13)22-18-10-21-9-15(23-18)11-1-6-16-12(7-11)8-17(26-16)19(24)25/h1,6-10,13-14H,2-5,20H2,(H,22,23)(H,24,25)/t13-,14- | PDB
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| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345255
(5-bromo-7-(2-(piperidin-4-yl)acetamido)benzofuran-...)Show InChI InChI=1S/C16H17BrN2O4/c17-11-6-10-7-13(16(21)22)23-15(10)12(8-11)19-14(20)5-9-1-3-18-4-2-9/h6-9,18H,1-5H2,(H,19,20)(H,21,22) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323242
((2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-...)Show SMILES CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r| Show InChI InChI=1S/C23H32N4O3/c1-2-18(25-23(29)21-19(28)13-14-24-21)16-8-10-17(11-9-16)22-26-20(30-27-22)12-7-15-5-3-4-6-15/h8-11,15,18-19,21,24,28H,2-7,12-14H2,1H3,(H,25,29)/t18-,19-,21-/m0/s1 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM28394
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+ | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo... |
J Med Chem 55: 2641-8 (2012)
Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323217
((2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-...)Show SMILES C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r| Show InChI InChI=1S/C22H30N4O3/c1-14(24-22(28)20-18(27)12-13-23-20)16-7-9-17(10-8-16)21-25-19(29-26-21)11-6-15-4-2-3-5-15/h7-10,14-15,18,20,23,27H,2-6,11-13H2,1H3,(H,24,28)/t14-,18-,20-/m0/s1 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345247
(5-bromo-7-(piperidin-4-ylmethoxy)benzofuran-2-carb...)Show InChI InChI=1S/C15H16BrNO4/c16-11-5-10-6-13(15(18)19)21-14(10)12(7-11)20-8-9-1-3-17-4-2-9/h5-7,9,17H,1-4,8H2,(H,18,19) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50323234
((2S,3S)-N-(4-(3-heptyl-1,2,4-oxadiazol-5-yl)benzyl...)Show SMILES CCCCCCCc1noc(n1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-18-24-21(28-25-18)16-10-8-15(9-11-16)14-23-20(27)19-17(26)12-13-22-19/h8-11,17,19,22,26H,2-7,12-14H2,1H3,(H,23,27)/t17-,19-/m0/s1 | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50299328
((2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-c...)Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of sphingosine kinase 1 |
Bioorg Med Chem Lett 20: 4550-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.019
BindingDB Entry DOI: 10.7270/Q23T9HDT |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50299328
((2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-c...)Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human sphingosine kinase 1 by off chip mobility shift assay |
Bioorg Med Chem Lett 19: 6119-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.022
BindingDB Entry DOI: 10.7270/Q29Z94ZP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50345260
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:1.0,wD:4.7,(48.98,-16.4,;50.31,-15.63,;50.32,-14.09,;51.64,-13.33,;52.97,-14.1,;52.98,-15.64,;51.64,-16.4,;54.3,-13.33,;54.3,-11.79,;52.96,-11.02,;52.97,-9.48,;51.63,-8.71,;54.29,-8.71,;55.63,-9.47,;57.09,-8.99,;58,-10.23,;57.1,-11.48,;55.64,-11.01,;59.54,-10.22,;60.32,-11.55,;60.3,-8.88,)| Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11- | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method |
Bioorg Med Chem Lett 21: 3050-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG |
More data for this
Ligand-Target Pair | |
2-hydroxyacylsphingosine 1-beta-galactosyltransferase
(Homo sapiens) | BDBM50561655
(CHEMBL4760937)Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)NC(C)C)CC1)C(F)(F)F | NCI pathway
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8 |
More data for this
Ligand-Target Pair | |
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