BDBM375728 US10301323, Compound B6::US9908899, Compound B6

SMILES: Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1

InChI Key: InChIKey=QCTDGAIQYJYZLK-BJMVGYQFSA-N

Data: 6 IC50

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 6 hits for monomerid = 375728   

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 deacetylase 1 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 50: 685-95 (2007) BindingDB Entry DOI: 10.7270/Q2736T75
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 50: 685-95 (2007) BindingDB Entry DOI: 10.7270/Q2736T75
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 49: 1202-6 (2006) BindingDB Entry DOI: 10.7270/Q2JD504D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 49: 1202-6 (2006) BindingDB Entry DOI: 10.7270/Q2JD504D
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 49: 1202-6 (2006) BindingDB Entry DOI: 10.7270/Q2JD504D
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM375728 (US10301323, Compound B6 | US9908899, Compound B6) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H19FN4O2/c21-16-6-8-17(9-7-16)27-12-11-25-14-15(13-23-25)5-10-20(26)24-19-4-2-1-3-18(19)22/h1-10,13-14H,11-12,22H2,(H,24,26)/b10-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 50: 685-95 (2007) BindingDB Entry DOI: 10.7270/Q2736T75
					More data for this Ligand-Target Pair