BDBM50252395 CHEMBL4087616

SMILES: CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O

InChI Key: InChIKey=ZCAIUGLOTHAUQX-UHFFFAOYSA-N

Data: 10 KI  7 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 17 hits for monomerid = 50252395   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in baculovirus-infected insect cells using RHK(Ac)K(Ac)AMC ...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged recombinant human NCOR2 (395 to 489 residues) expressed...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus-infected Sf21 insect cells using RHKK(Ac)AMC as substrate a...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus-infected insect cells after 60 mins by flu...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	452	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC10 expressed in baculovirus-infected insect cells using fluorogenic peptide RHKKAc as substrate by fluorimeter				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as ...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	701	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC4 expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-AMC as substrate by flu...				J Med Chem 61: 3454-3477 (2018) Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50252395 (CHEMBL4087616) Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium. Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using RHKKAc as substrate by fluorescence assay				Eur J Med Chem 135: 174-195 (2017) Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS
					More data for this Ligand-Target Pair