BDBM50396043 CHEMBL2170018

SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O

InChI Key: InChIKey=VBSVPIWFMZPHNV-LQJZCPKCSA-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 = 50396043   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50396043 (CHEMBL2170018) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,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
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50396043 (CHEMBL2170018) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,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	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50396043 (CHEMBL2170018) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,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	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50396043 (CHEMBL2170018) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-29(45)13-7-6-8-17-33-37(49)43(21-18-28-23-39-31-15-10-9-14-30(28)31)25-35(47)42(24-26(2)3)22-19-34(46)40-32(36(48)41-33)16-11-12-20-38-27(4)44/h9-10,14-15,23,26,32-33,39H,5-8,11-13,16-22,24-25H2,1-4H3,(H,38,44)(H,40,46)(H,41,48)/t32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair