BDBM50020890 CHEMBL3287250::US9216962, CFH382

SMILES: CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1

InChI Key: InChIKey=BFMAQRHQZHOUNR-UHFFFAOYSA-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 = 50020890   

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))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	102	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...				Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	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	PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC4 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020890 (CHEMBL3287250 | US9216962, CFH382) Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair