BDBM274223 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one::US9550796, Example 18
SMILES: Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1
InChI Key: InChIKey=KJMPMBQYOMBJLE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG US Patent | Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and... | US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) | PDB KEGG UniProtKB/SwissProt B.MOAD 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 |
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL | Assay Description Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay | J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 3 (Homo sapiens (Human)) | BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 14 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG US Patent | Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and... | US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 2 (Homo sapiens (Human)) | BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 14 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG US Patent | Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and... | US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK | |||||||||||
More data for this Ligand-Target Pair |