BDBM50302069 6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-3,6,9,13-tetraoxo-1,4,7,10-tetraazacyclotridecan-5-yl)hexanoic acid::CHEMBL569447

SMILES: CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O

InChI Key: InChIKey=OYYPQADPXQGLIL-UYDQTSAYSA-N

Data: 4 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 4 hits for monomerid = 50302069   

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))	BDBM50302069 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydro...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C39H49N5O8/c1-25(45)40-21-8-7-15-32-37(50)43-33(14-3-2-4-16-36(48)49)38(51)44-34(23-28-12-9-11-27-10-5-6-13-31(27)28)39(52)41-29(24-35(47)42-32)22-26-17-19-30(46)20-18-26/h5-6,9-13,17-20,29,32-34,46H,2-4,7-8,14-16,21-24H2,1H3,(H,40,45)(H,41,52)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29-,32-,33-,34-/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	288	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 8 (Homo sapiens (Human))	BDBM50302069 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydro...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C39H49N5O8/c1-25(45)40-21-8-7-15-32-37(50)43-33(14-3-2-4-16-36(48)49)38(51)44-34(23-28-12-9-11-27-10-5-6-13-31(27)28)39(52)41-29(24-35(47)42-32)22-26-17-19-30(46)20-18-26/h5-6,9-13,17-20,29,32-34,46H,2-4,7-8,14-16,21-24H2,1H3,(H,40,45)(H,41,52)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29-,32-,33-,34-/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	1.38E+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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302069 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydro...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C39H49N5O8/c1-25(45)40-21-8-7-15-32-37(50)43-33(14-3-2-4-16-36(48)49)38(51)44-34(23-28-12-9-11-27-10-5-6-13-31(27)28)39(52)41-29(24-35(47)42-32)22-26-17-19-30(46)20-18-26/h5-6,9-13,17-20,29,32-34,46H,2-4,7-8,14-16,21-24H2,1H3,(H,40,45)(H,41,52)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29-,32-,33-,34-/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	1.04E+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 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))	BDBM50302069 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydro...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C39H49N5O8/c1-25(45)40-21-8-7-15-32-37(50)43-33(14-3-2-4-16-36(48)49)38(51)44-34(23-28-12-9-11-27-10-5-6-13-31(27)28)39(52)41-29(24-35(47)42-32)22-26-17-19-30(46)20-18-26/h5-6,9-13,17-20,29,32-34,46H,2-4,7-8,14-16,21-24H2,1H3,(H,40,45)(H,41,52)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29-,32-,33-,34-/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	4.40E+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