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BDBM76247 MLS002472883::SMR001396994::[(2R,3S)-2,8-bis(4-hydroxyphenyl)-3,5-bis(oxidanyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-9-yl]-[2,4,6-tris(oxidanyl)phenyl]methanone::[(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h][1]benzopyran-9-yl]-(2,4,6-trihydroxyphenyl)methanone::[(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone::cid_44144307::dihydrodaphnodorin B
SMILES: O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
InChI Key: InChIKey=YXPCHLHMGOFXRA-DHGPJANISA-N
Data: 8 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Intestinal alkaline phosphatase (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.83E+4 | n/a | n/a | 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, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2X63KDM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.32E+4 | n/a | n/a | 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/Q2NS0SCW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.97E+4 | n/a | n/a | 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/Q2H130G1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Collagenase 3 (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Stromelysin-1 (Homo sapiens (Human)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpi (Rattus norvegicus (Rat)) | BDBM76247 (MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.21E+3 | n/a | n/a | 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/Q2DB809V | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
