BDBM50302076 6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-isobutyl-2-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-5-yl)hexanoic acid::CHEMBL570490

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](Cc2c[nH]c3ccccc23)C(=O)N1

InChI Key: InChIKey=BLVLSEPOIOLKDB-BTDFZRAWSA-N

Data: 8 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 8 hits for monomerid = 50302076   

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))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	116	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))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	608	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))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	2.30E+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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	2.31E+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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/m0/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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC8 in human HeLa cells nuclear extract using Arg-His-Lys(Ac)-Lys(Ac)-AMC 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))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	120	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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) 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](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/m0/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	2.30E+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 HDAC8 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