BDBM50341828 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine::5-Bromo-N-(4-(pyrrolidinyl)piperidinyl)nicotinamide::CHEMBL1235119
SMILES: Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
InChI Key: InChIKey=CQERVFFAOOUFEQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay | J Med Chem 54: 2504-11 (2011) Article DOI: 10.1021/jm200045v BindingDB Entry DOI: 10.7270/Q2HH6KCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PHD finger protein 23 (PHF23) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of GST-tagged PHF23 (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dar... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Displacement of FAM-AHA-ARTKQTARK(Me)STGGKA-CO2H from human L3MBTL1 assessed as apparent disociation constant after 20 mins by FP-displacement Assay | J Med Chem 54: 2504-11 (2011) Article DOI: 10.1021/jm200045v BindingDB Entry DOI: 10.7270/Q2HH6KCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to L3MBTL3 by chemiluminescent assay | J Med Chem 54: 2504-11 (2011) Article DOI: 10.1021/jm200045v BindingDB Entry DOI: 10.7270/Q2HH6KCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 4 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to L3MBTL4 by chemiluminescent assay | J Med Chem 54: 2504-11 (2011) Article DOI: 10.1021/jm200045v BindingDB Entry DOI: 10.7270/Q2HH6KCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MBT domain-containing protein 1 (MBTD1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Scm-like with four MBT domains protein 1 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 4 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysine-specific demethylase 5A (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PHD finger protein 23 (PHF23) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase (UHRF1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor suppressor p53-binding protein 1 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chromobox protein homolog 7 (CBX7) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay | J Med Chem 56: 7358-71 (2013) Article DOI: 10.1021/jm400919p BindingDB Entry DOI: 10.7270/Q2B27WRP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 1 (Homo sapiens) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Chromobox protein homolog 7 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysine-specific demethylase 5A (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of GST-tagged Jarid1A (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under d... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase (UHRF1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of UHRF1 tandem tudor domain (121 to 286) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incub... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tumor suppressor p53-binding protein 1 (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MBT domain-containing protein 1 (MBTD1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me1 as substrate incubated for 30 mins at... | Medchemcomm 4: 1501-1507 (2013) Article DOI: 10.1039/c3md00197k BindingDB Entry DOI: 10.7270/Q2BV7KKN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human)) | BDBM50341828 (3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...) | PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to human L3MBTL1 by chemiluminescent assay | J Med Chem 54: 2504-11 (2011) Article DOI: 10.1021/jm200045v BindingDB Entry DOI: 10.7270/Q2HH6KCP | |||||||||||
More data for this Ligand-Target Pair |