Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'TP53-binding protein 1' and Ligand = 'BDBM154545'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TP53-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 InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
TP53-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 InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
TP53-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 InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
TP53-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 InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
					More data for this Ligand-Target Pair				3D Structure (crystal)