BDBM50032266 CHEMBL3352823

SMILES: CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O

InChI Key: InChIKey=OIEKPNQPBVLMCJ-ICBLRXDCSA-N

Data: 6 KI

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 6 hits for monomerid = 50032266   

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))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/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	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/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	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50032266 (CHEMBL3352823) Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O |r| Show InChI InChI=1S/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/m1/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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins				J Med Chem 57: 9644-57 (2014) Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG
					More data for this Ligand-Target Pair