BDBM50273526 CHEMBL4126661

SMILES: CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F

InChI Key: InChIKey=XCLPBILTRRWOIL-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50273526   

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 4 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC4 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC10 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC3 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of NanoLuc-tagged HDAC11 (unknown origin) by BRET assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC8 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC2 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC5 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC7 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC9 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC1 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair