BDBM375742 US10301323, Compound D14::US9908899, Compound D14

SMILES: Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1

InChI Key: InChIKey=CQJSKABRIJQXCB-ZHACJKMWSA-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 = 375742   

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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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))	BDBM375742 (US10301323, Compound D14 | US9908899, Compound D14) Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1 Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+	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