BDBM50207717 CHEMBL3110243

SMILES: CNC(=O)c1ccccc1OC1CCOCC1

InChI Key: InChIKey=WZBIMVSWUWZIHN-UHFFFAOYSA-N

Data: 1 IC50  4 Kd

PDB links: 2 PDB IDs match 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 = 50207717   

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
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50207717 (CHEMBL3110243) Show SMILES CNC(=O)c1ccccc1OC1CCOCC1 Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50207717 (CHEMBL3110243) Show SMILES CNC(=O)c1ccccc1OC1CCOCC1 Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B (Homo sapiens (Human))	BDBM50207717 (CHEMBL3110243) Show SMILES CNC(=O)c1ccccc1OC1CCOCC1 Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay				J Med Chem 56: 10183-7 (2013) Article DOI: 10.1021/jm401582c BindingDB Entry DOI: 10.7270/Q2125WMB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50207717 (CHEMBL3110243) Show SMILES CNC(=O)c1ccccc1OC1CCOCC1 Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50207717 (CHEMBL3110243) Show SMILES CNC(=O)c1ccccc1OC1CCOCC1 Show InChI InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.59E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)