BDBM50527649 CHEMBL4467828
SMILES: Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
InChI Key: InChIKey=WHTYOOSKWPNGMT-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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Ectonucleoside triphosphate diphosphohydrolase 8 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human NTPDase 8 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 5... | 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)) | BDBM50527649 (CHEMBL4467828) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 19 | 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 | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.00E+3 | 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)) | BDBM50527649 (CHEMBL4467828) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.34E+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 2D6 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB 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 | |||||||||||||
Ectonucleoside triphosphate diphosphohydrolase 1 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human CD39 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 min... | 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)) | BDBM50527649 (CHEMBL4467828) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 22 | 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 | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.97E+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 | |||||||||||||
Ectonucleoside triphosphate diphosphohydrolase 3 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human NTPDase 3 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 5... | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleoside triphosphate diphosphohydrolase 2 (Homo sapiens (Human)) | BDBM50527649 (CHEMBL4467828) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arcus Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human NTPDase 2 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 5... | J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 | |||||||||||
More data for this Ligand-Target Pair |