Found 12 hits in this display 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 |
|---|
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... |
PubChem Bioassay (2009)
BindingDB Entry DOI: 10.7270/Q20863Q9 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2319TBQ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 4.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 9.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD
Curated by PubChem BioAssay
| Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2QF8R8B |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2ZC817P |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q25X2795 |
More data for this
Ligand-Target Pair | |
Protein RecA
(Mycobacterium tuberculosis H37Rv) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 5.96E+4 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2FN14NR |
More data for this
Ligand-Target Pair | |
Heat shock factor protein 1
(Mus musculus) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >2.60E+5 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2P55KXK |
More data for this
Ligand-Target Pair | |
Protein RecA
(Mycobacterium tuberculosis H37Rv) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2DR2SX9 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36928
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... |
PubChem Bioassay (2007)
BindingDB Entry DOI: 10.7270/Q2251GJ9 |
More data for this
Ligand-Target Pair | |