BDBM50353228 CHEMBL1830396

SMILES: CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C

InChI Key: InChIKey=OCDKGOFASZWZBG-CSKARUKUSA-N

Data: 11 KI  1 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 12 hits for monomerid = 50353228   

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 5 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50353228 (CHEMBL1830396) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair