BDBM50465086 CHEMBL4286227

SMILES: COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1

InChI Key: InChIKey=JIVWNYWADHBBGR-UHFFFAOYSA-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 = 50465086   

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 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50465086 (CHEMBL4286227) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 167-168 (2018) Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50465086 (CHEMBL4286227) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis				ACS Med Chem Lett 9: 167-168 (2018) Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50465086 (CHEMBL4286227) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 167-168 (2018) Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50465086 (CHEMBL4286227) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C31H43N7O4/c1-42-25-13-14-26-27(21-25)35-31(33-18-17-32-28(39)11-7-2-3-8-12-29(40)37-41)36-30(26)34-24-15-19-38(20-16-24)22-23-9-5-4-6-10-23/h4-6,9-10,13-14,21,24,41H,2-3,7-8,11-12,15-20,22H2,1H3,(H,32,39)(H,37,40)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 167-168 (2018) Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG
					More data for this Ligand-Target Pair