BindingDB PrimarySearch

BDBM154545 3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UNC2170, 1)

SMILES: CC(C)(C)NCCCNC(=O)c1cccc(Br)c1

InChI Key: InChIKey=XUFUVCIZFNREBI-UHFFFAOYSA-N

Data: 10 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 154545
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Methyl-lysine binding protein (53BP1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromobox protein homolog 7 (CBX7) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
PHD finger protein 1 (PHF1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
PHD finger protein 19 (PHF19) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Tumor suppressor p53-binding protein 1 (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Competitive displacement of p53K382me2 from His-tagged 53BP1 tandem Tudor domain (unknown origin)				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase (UHRF1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair
Methyl-lysine binding protein (53BP1) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	8.0	298.15
University of North Carolina at Chapel Hill					Assay Description All ITC measurements were recorded at 25 �C with an AutoITC200 microcalorimeter (MicroCal Inc.). All protein and compound stock samples were in the t...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor suppressor p53-binding protein 1 (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity to 53BP1 methyllysine binding domain (unknown origin) by ITC method				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PHD finger protein 23 (PHF23) (Homo sapiens (Human))	BDBM154545 (3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	8.0	1,663.9
University of North Carolina at Chapel Hill					Assay Description In brief, compound plates (1 μL at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS ...				ACS Chem Biol 10: 1072-81 (2015) Article DOI: 10.1021/cb500956g BindingDB Entry DOI: 10.7270/Q27S7MHJ
University of North Carolina at Chapel Hill					More data for this Ligand-Target Pair