BDBM50022178 4-Methyl-7-hydroxycoumarin::4-methylumbelliferone::7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran::7-Hydroxy-4-methyl-2-oxo-3-chromene::7-Hydroxy-4-methyl-2H-1-benzopyran-2-one::7-Hydroxy-4-methyl-2H-2-one (1)::7-Hydroxy-4-methylcoumarin::7-hydroxy-4-methyl-2H-chromen-2-one::CHEMBL12208::Coumarin derivative, 3b::Imecromone::beta-Methylumbelliferone::cid_5280567
SMILES: Cc1cc(=O)oc2cc(O)ccc12
InChI Key: InChIKey=HSHNITRMYYLLCV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 450 | -8.04 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
S.G.S.I.T.S | Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay | J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.30E+3 | -6.80 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
S.G.S.I.T.S | Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.80E+3 | -6.74 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
S.G.S.I.T.S | Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay | J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assay | J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assay | J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.00E+5 | >-4.69 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
S.G.S.I.T.S | Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BioPharmaNet Curated by ChEMBL | Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA | Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (Rattus norvegicus) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type) | J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ... | Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180... | Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to... | Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sorbitol dehydrogenase (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama Curated by ChEMBL | Assay Description Inhibition sorbitol dehydrogenase by spectrophotometric analysis | Bioorg Med Chem Lett 20: 5630-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.038 BindingDB Entry DOI: 10.7270/Q28052TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toyama Curated by ChEMBL | Assay Description Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis | Bioorg Med Chem Lett 20: 5630-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.038 BindingDB Entry DOI: 10.7270/Q28052TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Chemical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of human 17beta-HSD3 expressed in HeLa cells | Bioorg Med Chem Lett 20: 272-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.111 BindingDB Entry DOI: 10.7270/Q2SF2W8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Santiago de Compostela 15782 Curated by ChEMBL | Assay Description Inhibition of human recombinant MAOB by fluorimetric method | J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method | Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method | Drug Metab Dispos 39: 322-9 (2011) Article DOI: 10.1124/dmd.110.035030 BindingDB Entry DOI: 10.7270/Q2PC343R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180... | Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (Mycobacterium tuberculosis H37Rv) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 999 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-structural protein 5B (NS5B) (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.38E+4 | n/a | n/a | n/a | n/a | 7.0 | 30 |
UMDNJ-New Jersey Medical School | Assay Description Inhibition assay using HCV NS5B. | Chem Biol Drug Des 81: 607-14 (2013) Article DOI: 10.1111/cbdd.12105 BindingDB Entry DOI: 10.7270/Q2R78CT6 | |||||||||||
More data for this Ligand-Target Pair |