BDBM50027494 CHEMBL3356916

SMILES: Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1

InChI Key: InChIKey=JTIATMCBWUQBGH-IRXDYDNUSA-N

Data: 7 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 7 hits for monomerid = 50027494   

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 3 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/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	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/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	135	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50027494 (CHEMBL3356916) Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair