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BDBM61070 (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]-2-propenoic acid ethyl ester::(Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]acrylic acid ethyl ester::MLS000417101::SMR000264333::cid_6217704::ethyl (Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enoate::ethyl (Z)-3-[4-[bis(fluoranyl)methoxy]phenyl]-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]prop-2-enoate
SMILES: CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1
InChI Key: InChIKey=IHJCKBWPCNFLBM-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2GF0RZ3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 342 | 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 | |||||||||||||
| Hsf1 protein (Mus musculus) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.62E+3 | 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: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 494 | 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/Q2222S7B | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 34 | 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/Q2X928R1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 351 | 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/Q2SJ1J1Q | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
| Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.18E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
| Integrin alpha-4 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 7.79E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-4 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24X5684 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| XBP1 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.75E+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 | |||||||||||||
| Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 614 | 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/Q2J38QZW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
