BDBM50089085 CHEMBL3577694

SMILES: CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12

InChI Key: InChIKey=FTVNKVXRXIRGTC-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 = 50089085   

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 8 (Homo sapiens (Human))	BDBM50089085 (CHEMBL3577694) Show SMILES CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12 Show InChI InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Fujian University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-tagged full length human HDAC8 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC cla...				ACS Med Chem Lett 6: 239-43 (2015) Article DOI: 10.1021/ml500327q BindingDB Entry DOI: 10.7270/Q23F4RCK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50089085 (CHEMBL3577694) Show SMILES CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12 Show InChI InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Fujian University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC1 (1 to 482) expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC substrate 3 af...				ACS Med Chem Lett 6: 239-43 (2015) Article DOI: 10.1021/ml500327q BindingDB Entry DOI: 10.7270/Q23F4RCK
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50089085 (CHEMBL3577694) Show SMILES CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12 Show InChI InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)	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	275	n/a	n/a	n/a	n/a	n/a	n/a
Fujian University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-tagged full length human HDAC2 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC sub...				ACS Med Chem Lett 6: 239-43 (2015) Article DOI: 10.1021/ml500327q BindingDB Entry DOI: 10.7270/Q23F4RCK
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50089085 (CHEMBL3577694) Show SMILES CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12 Show InChI InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Fujian University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged full length human HDAC6 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC sub...				ACS Med Chem Lett 6: 239-43 (2015) Article DOI: 10.1021/ml500327q BindingDB Entry DOI: 10.7270/Q23F4RCK
					More data for this Ligand-Target Pair