null
SMILES: COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
InChI Key: InChIKey=QCIJLRJBZDBVDB-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 1 (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.52E+3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Oxford University | Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,... | ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Oxford University | Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,... | ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 172 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Oxford University | Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,... | ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc... | ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay | ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetric analysis | J Med Chem 59: 1271-98 (2016) BindingDB Entry DOI: 10.7270/Q2X92D6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Transcription intermediary factor 1-alpha (Homo sapiens (Human)) | BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Oxford University | Assay Description Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,... | ACS Chem Biol 12: 2619-2630 (2017) Article DOI: 10.1021/acschembio.7b00481 BindingDB Entry DOI: 10.7270/Q2HM56MX | |||||||||||
More data for this Ligand-Target Pair |