BDBM50302064 CHEMBL569946::N-(5-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-isobutyl-3,6,9,13-tetraoxo-5-(6-oxooctyl)-1,4,7,10-tetraazacyclotridecan-2-yl)pentyl)acetamide

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

InChI Key: InChIKey=LEWXBXMXEGUQKN-MKKRQWMVSA-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 = 50302064   

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))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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	42	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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	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 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))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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	54	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