BDBM50353238 CHEMBL1830399::US10188756, Compound CN101

SMILES: CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C

InChI Key: InChIKey=FDTJPEFUCCISMT-CSKARUKUSA-N

Data: 10 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 10 hits for monomerid = 50353238   

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))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair