BDBM50044637 CHEMBL3309298

SMILES: CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1

InChI Key: InChIKey=VGDKNUOQFCSMED-SHTZXODSSA-N

Data: 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 7 hits for monomerid = 50044637   

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))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	PDB MMDB 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	PDB MMDB 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC3 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	PDB MMDB 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	440	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC6 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC4 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50044637 (CHEMBL3309298) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)| Show InChI InChI=1S/C22H31N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h8-9,11,14-15,29H,3-7,10,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t14-,15-	PDB MMDB 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	28	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair