BDBM154563 N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)

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

InChI Key: InChIKey=YKQSWTFGSUNNEI-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 154563   

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
Methyl-lysine binding protein (53BP1) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	8.0	1,117.6
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)
Chromobox protein homolog 7 (CBX7) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	1,117.6
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
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	1,117.6
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
PHD finger protein 1 (PHF1) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	844.45
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
PHD finger protein 19 (PHF19) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	844.45
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
Tumor suppressor p53-binding protein 1 (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of 53BP1 methyllysine binding domain (unknown origin) after 30 mins by AlphaScreen assay				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)
E3 ubiquitin-protein ligase (UHRF1) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	571.3
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
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	571.3
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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	571.3
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
MBT domain-containing protein 1 (MBTD1) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	571.3
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
PHD finger protein 23 (PHF23) (Homo sapiens (Human))	BDBM154563 (N-(3-(Tert-butylamino)propyl)-3-iodobenzamide (19)) Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(I)c1 Show InChI InChI=1S/C14H21IN2O/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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	844.45
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