BDBM50027662 CHEMBL3338418

SMILES: ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1

InChI Key: InChIKey=MWLFQRZKKHIDTM-QGZVFWFLSA-N

Data: 14 IC50  2 EC50

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 16 hits for monomerid = 50027662   

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))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC4 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC5 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC7 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC9 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC11 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay				J Med Chem 57: 8026-34 (2014) Article DOI: 10.1021/jm5008962 BindingDB Entry DOI: 10.7270/Q29C700V
					More data for this Ligand-Target Pair