BDBM54706 2-(6-methoxy-2-naphthalenyl)acetic acid::2-(6-methoxy-2-naphthyl)acetic acid::2-(6-methoxynaphthalen-2-yl)acetic acid::2-(6-methoxynaphthalen-2-yl)ethanoic acid::UNM-0000306103::cid_32176
SMILES: COc1ccc2cc(CC(O)=O)ccc2c1
InChI Key: InChIKey=PHJFLPMVEFKEPL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by PDSP Ki Database | J Pharmacol Exp Ther 296: 558-66 (2001) BindingDB Entry DOI: 10.7270/Q2QR4VPJ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dallas Department of Veterans Affairs Medical Center Curated by PDSP Ki Database | Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GTP-binding protein (rab7) (Canis lupus familiaris) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X34VWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ras protein (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D21W1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ras-related C3 botulinum toxin substrate 1 (Mus musculus) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24M92ZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ras-related C3 botulinum toxin substrate 1 (Mus musculus) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W37TR5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30... | ACS Med Chem Lett 3: 759-763 (2012) Article DOI: 10.1021/ml3001616 BindingDB Entry DOI: 10.7270/Q2FJ2HWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1... | J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Z31X2S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26H4FT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C2 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1... | J Med Chem 59: 7431-44 (2016) Article DOI: 10.1021/acs.jmedchem.6b00160 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ras protein (Homo sapiens (Human)) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23N21VG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ras-related protein Rab-2A. (Canis lupus familiaris) | BDBM54706 (2-(6-methoxy-2-naphthalenyl)acetic acid | 2-(6-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2V40SNS | |||||||||||
More data for this Ligand-Target Pair |