BDBM50257750 CHEMBL494325::N-allyl-6-bromoquinazolin-4-amine::SMER28 (2)::cid_1560402

SMILES: Brc1ccc2ncnc(NCC=C)c2c1

InChI Key: InChIKey=BCPOLXUSCUFDGE-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50257750   

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
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2C24V0K
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2794387
					More data for this Ligand-Target Pair
Huntingtin (Homo sapiens (Human))	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of Huntingtin protein (unknown origin) aggregation by yeast based assay				Bioorg Med Chem Lett 19: 1715-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.087 BindingDB Entry DOI: 10.7270/Q2Q2403P
					More data for this Ligand-Target Pair
Huntingtin (Homo sapiens (Human))	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of Huntingtin protein aggregation by cell based assay				Bioorg Med Chem Lett 19: 1715-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.087 BindingDB Entry DOI: 10.7270/Q2Q2403P
					More data for this Ligand-Target Pair
PvdQ (Pseudomonas aeruginosa)	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair				3D Structure (crystal)