BDBM50528196 CHEMBL4575655
SMILES: COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
InChI Key: InChIKey=ZOUWFECDLDOKNV-UHFFFAOYSA-N
Data: 15 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 2D6 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorrphan as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter measured after 24 hrs ... | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substr... | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50528196 (CHEMBL4575655) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in HEK293 cells measured after 5 mins by whole cell patch clamp method | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of ALK2 R258G mutant (unknown origin) | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50528196 (CHEMBL4575655) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of ALK2 G328V mutant (unknown origin) | J Med Chem 63: 4978-4996 (2020) Article DOI: 10.1021/acs.jmedchem.0c00395 | |||||||||||
More data for this Ligand-Target Pair |