BDBM50527650 CHEMBL4438144
SMILES: Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
InChI Key: InChIKey=SWFRQIKTNNVFAU-UHFFFAOYSA-N
Data: 7 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 |
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Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human liver microsome CYP3A4 using midazolam as substrate incubated for 5 to 20 mins by LC-MS/MS analysis | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5'-nucleotidase (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio... | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human liver microsome CYP2C9 using diclofenac as substrate incubated for 5 to 20 mins by LC-MS/MS analysis | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | <55 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5'-nucleotidase (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur... | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50527650![]() (CHEMBL4438144) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 5 to 20 mins by LC-MS/MS analysis | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair |