BDBM50302065 (3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobutyl-6,9-bis(6-oxooctyl)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone::CHEMBL569288

SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O

InChI Key: InChIKey=ANMUPVFDIZCWEB-KIHNNLCDSA-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 = 50302065   

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 6 (Homo sapiens (Human))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,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	>1.00E+4	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))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,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	1.40E+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 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))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,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	260	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,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	150	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