BDBM50019333 CHEMBL3289432
SMILES: Cc1nc(C)c(s1)-c1cc[nH]n1
InChI Key: InChIKey=XZLKZEOPTRHRHG-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 |
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Catechol O-methyltransferase (Homo sapiens (Human)) | BDBM50019333 (CHEMBL3289432) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc. Curated by ChEMBL | Assay Description Inhibition of catalytic activity of human cloned COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liq... | J Med Chem 57: 5459-63 (2014) Article DOI: 10.1021/jm500475k BindingDB Entry DOI: 10.7270/Q2G73G9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50019333 (CHEMBL3289432) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Catechol O-methyltransferase (Homo sapiens (Human)) | BDBM50019333 (CHEMBL3289432) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc. Curated by ChEMBL | Assay Description Binding affinity to NHS-PEG4-Biotin-labeled human COMT after 1 hr by surface plasmon resonance assay | J Med Chem 57: 5459-63 (2014) Article DOI: 10.1021/jm500475k BindingDB Entry DOI: 10.7270/Q2G73G9B | |||||||||||
More data for this Ligand-Target Pair |