Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50031787   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319216 (6-[3-(Naphthalene-2-carbonyl)-ureido]-hexanoic aci...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H21N3O4/c22-16(21-25)8-2-1-5-11-19-18(24)20-17(23)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,22)(H2,19,20,23,24)	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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319211 (6-[3-(4-Iodo-benzoyl)-ureido]-hexanoic acid hydrox...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C14H18IN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319220 (6-[3-(3-amino-4-chloro-benzoyl)-ureido]-hexanoic a...) Show SMILES Nc1cc(ccc1Cl)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C14H19ClN4O4/c15-10-6-5-9(8-11(10)16)13(21)18-14(22)17-7-3-1-2-4-12(20)19-23/h5-6,8,23H,1-4,7,16H2,(H,19,20)(H2,17,18,21,22)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319209 (6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319226 (6-{3-[4-(2-Diethylamino-ethylamino)-3-nitro-benzoy...) Show SMILES CCN(CC)CCNc1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C20H32N6O6/c1-3-25(4-2)13-12-21-16-10-9-15(14-17(16)26(31)32)19(28)23-20(29)22-11-7-5-6-8-18(27)24-30/h9-10,14,21,30H,3-8,11-13H2,1-2H3,(H,24,27)(H2,22,23,28,29)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319221 (6-[3-(3-Nitro-4-pyrrolidin-1-yl-benzoyl)-ureido]-h...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H25N5O6/c24-16(21-27)6-2-1-3-9-19-18(26)20-17(25)13-7-8-14(15(12-13)23(28)29)22-10-4-5-11-22/h7-8,12,27H,1-6,9-11H2,(H,21,24)(H2,19,20,25,26)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319230 (6-{3-[1-(2-Diethylamino-ethyl)-1H-benzimidazole-5-...) Show SMILES CCN(CC)CCn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C21H32N6O4/c1-3-26(4-2)12-13-27-15-23-17-14-16(9-10-18(17)27)20(29)24-21(30)22-11-7-5-6-8-19(28)25-31/h9-10,14-15,31H,3-8,11-13H2,1-2H3,(H,25,28)(H2,22,24,29,30)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319212 (6-[3-(4-tert-Butyl-benzoyl)-ureido]-hexanoic acid ...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H27N3O4/c1-18(2,3)14-10-8-13(9-11-14)16(23)20-17(24)19-12-6-4-5-7-15(22)21-25/h8-11,25H,4-7,12H2,1-3H3,(H,21,22)(H2,19,20,23,24)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319208 (6-[3-(4-Chloro-benzoyl)-ureido]-hexanoic acid hydr...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H18ClN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319219 (6-[3-(4-pyrimidin-5-yl-benzoyl)-ureido]-hexanoic a...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C18H21N5O4/c24-16(23-27)4-2-1-3-9-21-18(26)22-17(25)14-7-5-13(6-8-14)15-10-19-12-20-11-15/h5-8,10-12,27H,1-4,9H2,(H,23,24)(H2,21,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319232 (6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-b...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C29H38N6O4/c36-27(33-39)11-5-2-6-16-30-29(38)32-28(37)23-13-14-25-24(21-23)31-26(15-12-22-9-3-1-4-10-22)35(25)20-19-34-17-7-8-18-34/h1,3-4,9-10,13-14,21,39H,2,5-8,11-12,15-20H2,(H,33,36)(H2,30,32,37,38)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319217 (6-[3-(4-phenylacetylamino-benzoyl)-ureido]-hexanoi...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C22H26N4O5/c27-19(26-31)9-5-2-6-14-23-22(30)25-21(29)17-10-12-18(13-11-17)24-20(28)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-13,31H,2,5-6,9,14-15H2,(H,24,28)(H,26,27)(H2,23,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319213 (6-[3-(4-Nitro-benzoyl)-ureido]-hexanoic acid hydro...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319210 (6-[3-(3-Bromo-benzoyl)-ureido]-hexanoic acid hydro...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319214 (6-[3-(3-Nitro-benzoyl)-ureido]-hexanoic acid hydro...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H18N4O6/c19-12(17-22)7-2-1-3-8-15-14(21)16-13(20)10-5-4-6-11(9-10)18(23)24/h4-6,9,22H,1-3,7-8H2,(H,17,19)(H2,15,16,20,21)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319218 (6-[3-(4-benzenesulfonylamino-benzoyl)-ureido]-hexa...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H24N4O6S/c25-18(23-28)9-5-2-6-14-21-20(27)22-19(26)15-10-12-16(13-11-15)24-31(29,30)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,24,28H,2,5-6,9,14H2,(H,23,25)(H2,21,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319207 (6-[3-(4-Fluoro-benzoyl)-ureido]-hexanoic acid hydr...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H18FN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)	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	115	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319215 (6-[3-(2,6-Dichloro-benzoyl)-ureido]-hexanoic acid ...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C14H17Cl2N3O4/c15-9-5-4-6-10(16)12(9)13(21)18-14(22)17-8-3-1-2-7-11(20)19-23/h4-6,23H,1-3,7-8H2,(H,19,20)(H2,17,18,21,22)	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	185	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319238 (6-[3-benzoyl-1-(3-phenyl-propyl)-ureido]-hexanoic ...) Show SMILES ONC(=O)CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O4/c27-21(25-30)16-8-3-9-17-26(18-10-13-19-11-4-1-5-12-19)23(29)24-22(28)20-14-6-2-7-15-20/h1-2,4-7,11-12,14-15,30H,3,8-10,13,16-18H2,(H,25,27)(H,24,28,29)	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	n/a	n/a	392	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319240 (7-(3-Benzoyl-1-benzyl-ureido)-heptanoic acid hydro...) Show SMILES ONC(=O)CCCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C22H27N3O4/c26-20(24-29)15-9-1-2-10-16-25(17-18-11-5-3-6-12-18)22(28)23-21(27)19-13-7-4-8-14-19/h3-8,11-14,29H,1-2,9-10,15-17H2,(H,24,26)(H,23,27,28)	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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319234 (4-(3-Benzoyl-ureido)-N-hydroxy-butyramide | CHEMBL...) Show SMILES ONC(=O)CCCNC(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C12H15N3O4/c16-10(15-19)7-4-8-13-12(18)14-11(17)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8H2,(H,15,16)(H2,13,14,17,18)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair