BDBM50302058 6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthalen-1-ylmethyl)-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-5-yl)hexanoic acid::CHEMBL570041

SMILES: CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1

InChI Key: InChIKey=UQIBYWVWCZGXRK-FUTPGTCUSA-N

Data: 9 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 9 hits for monomerid = 50302058   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	990	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	990	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/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	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair