BDBM103534 CHEMBL474152::US10201527, Compound 40::US10736881, Compound 14::US8551988, 14

SMILES: OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12

InChI Key: InChIKey=PUCZIAQPFJHBQT-FMIVXFBMSA-N

Data: 9 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 9 hits for monomerid = 103534   

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 8 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 by fluorimetric assay				Bioorg Med Chem Lett 19: 1403-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.041 BindingDB Entry DOI: 10.7270/Q2FT8KX3
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent									US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103534 (CHEMBL474152 | US10201527, Compound 40 | US1073688...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair