BDBM50450447 CHEMBL4171117
SMILES: Oc1c(F)cc(c2cccnc12)S(=O)(=O)c1ccc(F)cc1
InChI Key: InChIKey=QIABZCVRDQQJKB-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Catechol O-methyltransferase (Rattus norvegicus (Rat)) | BDBM50450447 (CHEMBL4171117) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development Curated by ChEMBL | Assay Description Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in pre... | J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50450447 (CHEMBL4171117) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development Curated by ChEMBL | Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p... | J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Catechol O-methyltransferase (Rattus norvegicus (Rat)) | BDBM50450447 (CHEMBL4171117) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development Curated by ChEMBL | Assay Description Inhibition of c-terminal hexa-His tagged rat S-COMT expressed in HEK293-6E cell membrane homogenate using 7,8-dihydroxy-4-methylcoumarin as substrate... | J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50450447 (CHEMBL4171117) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development Curated by ChEMBL | Assay Description Inhibition of c-terminal hexa-His tagged human S-COMT expressed in HEK293-6E cell membrane homogenate using 7,8-dihydroxy-4-methylcoumarin as substra... | J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8 | |||||||||||
More data for this Ligand-Target Pair |