Found 7 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 |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | 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 | 9.34E+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/Q2ZC817P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | 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 | 3.64E+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/Q25X2795 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | 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 | 7.60E+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 | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor... |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2MC8XM8 |
More data for this Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >3.54E+4 | 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/Q2SQ8XVD |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 205 | n/a | n/a | n/a | n/a |
NMMLSC
Curated by PubChem BioAssay
| Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2RB734K |
More data for this Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM36957
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >3.54E+4 | 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/Q2251GM6 |
More data for this Ligand-Target Pair | |