Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50021039   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220268 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N...) Show SMILES C[C@H]1CN(CCN1C(=O)NCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C25H28N6O2/c1-18-17-30(13-14-31(18)25(33)28-15-19-7-3-2-4-8-19)23-12-11-20(16-27-23)24(32)29-22-10-6-5-9-21(22)26/h2-12,16,18H,13-15,17,26H2,1H3,(H,28,33)(H,29,32)/t18-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220247 (CHEMBL235651 | N-(2-aminophenyl)-6-(5-(4-chlorophe...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2c1ccc(Cl)cc1 |w:18.19,20.21,THB:13:16:19:22.21,23:22:16.17:19| Show InChI InChI=1S/C23H22ClN5O/c24-16-6-8-17(9-7-16)28-13-19-11-18(28)14-29(19)22-10-5-15(12-26-22)23(30)27-21-4-2-1-3-20(21)25/h1-10,12,18-19H,11,13-14,25H2,(H,27,30)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220265 ((R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220228 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N...) Show SMILES COc1ccc(CNC(=O)N2CCN(C[C@@H]2C)c2ccc(cn2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C26H30N6O3/c1-18-17-31(13-14-32(18)26(34)29-15-19-7-10-21(35-2)11-8-19)24-12-9-20(16-28-24)25(33)30-23-6-4-3-5-22(23)27/h3-12,16,18H,13-15,17,27H2,1-2H3,(H,29,34)(H,30,33)/t18-/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220231 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2...) Show SMILES C[C@H](NC(=O)N1CCN(C[C@@H]1C)c1ccc(cn1)C(=O)Nc1ccccc1N)c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-18-17-31(14-15-32(18)26(34)29-19(2)20-8-4-3-5-9-20)24-13-12-21(16-28-24)25(33)30-23-11-7-6-10-22(23)27/h3-13,16,18-19H,14-15,17,27H2,1-2H3,(H,29,34)(H,30,33)/t18-,19-/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220246 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2...) Show SMILES C[C@H]1CN(CCN1C(=O)NCCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C26H30N6O2/c1-19-18-31(15-16-32(19)26(34)28-14-13-20-7-3-2-4-8-20)24-12-11-21(17-29-24)25(33)30-23-10-6-5-9-22(23)27/h2-12,17,19H,13-16,18,27H2,1H3,(H,28,34)(H,30,33)/t19-/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220238 (CHEMBL235652 | N-(2-aminophenyl)-6-(5-(4-fluorophe...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2c1ccc(F)cc1 |w:18.19,20.21,THB:13:16:19:22.21,23:22:16.17:19| Show InChI InChI=1S/C23H22FN5O/c24-16-6-8-17(9-7-16)28-13-19-11-18(28)14-29(19)22-10-5-15(12-26-22)23(30)27-21-4-2-1-3-20(21)25/h1-10,12,18-19H,11,13-14,25H2,(H,27,30)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220230 (CHEMBL237559 | benzyl 5-(5-((2-aminophenyl)carbamo...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CCC1CN2C(=O)OCc1ccccc1 |w:18.19,21.24,THB:13:16:23.22:19.20,24:23:16.17:19.20| Show InChI InChI=1S/C26H27N5O3/c27-22-8-4-5-9-23(22)29-25(32)19-10-13-24(28-14-19)30-15-21-12-11-20(30)16-31(21)26(33)34-17-18-6-2-1-3-7-18/h1-10,13-14,20-21H,11-12,15-17,27H2,(H,29,32)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220256 (CHEMBL401026 | benzyl 5-(5-((2-aminophenyl)carbamo...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2C(=O)OCc1ccccc1 |w:18.19,20.21,THB:13:16:19:21.22,23:22:16.17:19| Show InChI InChI=1S/C25H25N5O3/c26-21-8-4-5-9-22(21)28-24(31)18-10-11-23(27-13-18)29-14-20-12-19(29)15-30(20)25(32)33-16-17-6-2-1-3-7-17/h1-11,13,19-20H,12,14-16,26H2,(H,28,31)	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	73	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220235 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C24H26N6O2/c1-17-16-29(13-14-30(17)24(32)27-19-7-3-2-4-8-19)22-12-11-18(15-26-22)23(31)28-21-10-6-5-9-20(21)25/h2-12,15,17H,13-14,16,25H2,1H3,(H,27,32)(H,28,31)/t17-/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	75	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220267 (CHEMBL237327 | N-(2-aminophenyl)-6-(3,3-dimethyl-4...) Show SMILES CC1(C)CN(CCN1C(=O)CCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C27H31N5O2/c1-27(2)19-31(16-17-32(27)25(33)15-12-20-8-4-3-5-9-20)24-14-13-21(18-29-24)26(34)30-23-11-7-6-10-22(23)28/h3-11,13-14,18H,12,15-17,19,28H2,1-2H3,(H,30,34)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220254 (3-[5-(2-amino-phenylcarbamoyl)-pyridin-2-yl]-3,8-d...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CCC(C1)N2C(=O)OCc1ccccc1 |w:18.19,21.23,TLB:13:16:23:19.20| Show InChI InChI=1S/C26H27N5O3/c27-22-8-4-5-9-23(22)29-25(32)19-10-13-24(28-14-19)30-15-20-11-12-21(16-30)31(20)26(33)34-17-18-6-2-1-3-7-18/h1-10,13-14,20-21H,11-12,15-17,27H2,(H,29,32)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220260 (CHEMBL393117 | pyridin-3-ylmethyl 5-(5-((2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CCC1CN2C(=O)OCc1cccnc1 |w:18.19,21.24,THB:13:16:23.22:19.20,24:23:16.17:19.20| Show InChI InChI=1S/C25H26N6O3/c26-21-5-1-2-6-22(21)29-24(32)18-7-10-23(28-13-18)30-14-20-9-8-19(30)15-31(20)25(33)34-16-17-4-3-11-27-12-17/h1-7,10-13,19-20H,8-9,14-16,26H2,(H,29,32)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220263 (CHEMBL237782 | benzyl 4-(5-((2-aminophenyl)carbamo...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCN(C(=O)OCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C28H25N5O3/c29-22-10-4-5-11-23(22)31-27(34)21-14-15-26(30-18-21)32-16-17-33(25-13-7-6-12-24(25)32)28(35)36-19-20-8-2-1-3-9-20/h1-15,18H,16-17,19,29H2,(H,31,34)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220253 ((S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2...) Show SMILES C[C@@H](NC(=O)N1CCN(C[C@@H]1C)c1ccc(cn1)C(=O)Nc1ccccc1N)c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-18-17-31(14-15-32(18)26(34)29-19(2)20-8-4-3-5-9-20)24-13-12-21(16-28-24)25(33)30-23-11-7-6-10-22(23)27/h3-13,16,18-19H,14-15,17,27H2,1-2H3,(H,29,34)(H,30,33)/t18-,19+/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	101	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220255 (CHEMBL238212 | N-(2-aminophenyl)-6-(3-phenyl-5,6-d...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C24H22N6O/c25-19-8-4-5-9-20(19)28-24(31)18-10-11-22(26-14-18)29-12-13-30-21(15-27-23(30)16-29)17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,25H2,(H,28,31)	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	139	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220244 (CHEMBL238213 | benzyl 5-(5-((2-aminophenyl)carbamo...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCN(C2CCC12)C(=O)OCc1ccccc1 |w:20.22,23.24| Show InChI InChI=1S/C26H27N5O3/c27-20-8-4-5-9-21(20)29-25(32)19-10-13-24(28-16-19)30-14-15-31(23-12-11-22(23)30)26(33)34-17-18-6-2-1-3-7-18/h1-10,13,16,22-23H,11-12,14-15,17,27H2,(H,29,32)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220252 (CHEMBL237328 | N-(2-aminophenyl)-6-(3,3-dimethyl-4...) Show SMILES CC1(C)CN(CCN1S(=O)(=O)c1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C24H27N5O3S/c1-24(2)17-28(14-15-29(24)33(31,32)19-8-4-3-5-9-19)22-13-12-18(16-26-22)23(30)27-21-11-7-6-10-20(21)25/h3-13,16H,14-15,17,25H2,1-2H3,(H,27,30)	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	149	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220237 (CHEMBL399003 | N-(2-aminophenyl)-6-(5-(3-phenylpro...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2C(=O)CCc1ccccc1 |w:18.19,20.21,THB:13:16:19:22.21,23:22:16.17:19| Show InChI InChI=1S/C26H27N5O2/c27-22-8-4-5-9-23(22)29-26(33)19-11-12-24(28-15-19)30-16-21-14-20(30)17-31(21)25(32)13-10-18-6-2-1-3-7-18/h1-9,11-12,15,20-21H,10,13-14,16-17,27H2,(H,29,33)	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	167	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220266 (3-[5-(2-amino-phenylcarbamoyl)-pyridin-2-yl]-3,8-d...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)c1ccc(cn1)C(=O)Nc1ccccc1N |w:8.15,11.12,THB:15:13:7:9.10| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-16-9-10-17(28)14-27(13-16)20-11-8-15(12-25-20)21(29)26-19-7-5-4-6-18(19)24/h4-8,11-12,16-17H,9-10,13-14,24H2,1-3H3,(H,26,29)	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	167	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220261 (CHEMBL236680 | benzyl 4-(5-((2-aminophenyl)carbamo...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H25N5O3/c25-20-8-4-5-9-21(20)27-23(30)19-10-11-22(26-16-19)28-12-14-29(15-13-28)24(31)32-17-18-6-2-1-3-7-18/h1-11,16H,12-15,17,25H2,(H,27,30)	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	168	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220264 (CHEMBL438121 | benzyl 4-(5-((2-aminophenyl)carbamo...) Show SMILES CC1(C)CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C26H29N5O3/c1-26(2)18-30(14-15-31(26)25(33)34-17-19-8-4-3-5-9-19)23-13-12-20(16-28-23)24(32)29-22-11-7-6-10-21(22)27/h3-13,16H,14-15,17-18,27H2,1-2H3,(H,29,32)	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	169	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220258 (CHEMBL392112 | tert-butyl 5-(5-((2-aminophenyl)car...) Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)Nc1ccccc1N |w:11.12,9.9,TLB:14:13:10:7.8,5:7:13.12:10| Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-13-15-10-16(27)12-26(15)19-9-8-14(11-24-19)20(28)25-18-7-5-4-6-17(18)23/h4-9,11,15-16H,10,12-13,23H2,1-3H3,(H,25,28)	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	189	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220240 (CHEMBL393389 | N-(2-aminophenyl)-6-(3-benzyl-5,6-d...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCn2c(Cc3ccccc3)cnc2C1 Show InChI InChI=1S/C25H24N6O/c26-21-8-4-5-9-22(21)29-25(32)19-10-11-23(27-15-19)30-12-13-31-20(16-28-24(31)17-30)14-18-6-2-1-3-7-18/h1-11,15-16H,12-14,17,26H2,(H,29,32)	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	222	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220234 (CHEMBL413799 | N-(2-aminophenyl)-6-(5-benzyl-2,5-d...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2Cc1ccccc1 |w:18.19,20.21,THB:13:16:19:22.21,23:22:16.17:19| Show InChI InChI=1S/C24H25N5O/c25-21-8-4-5-9-22(21)27-24(30)18-10-11-23(26-13-18)29-16-19-12-20(29)15-28(19)14-17-6-2-1-3-7-17/h1-11,13,19-20H,12,14-16,25H2,(H,27,30)	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	235	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220248 ((S)-tert-butyl 4-(5-((2-aminophenyl)carbamoyl)pyri...) Show SMILES C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C22H29N5O3/c1-15-14-26(11-12-27(15)21(29)30-22(2,3)4)19-10-9-16(13-24-19)20(28)25-18-8-6-5-7-17(18)23/h5-10,13,15H,11-12,14,23H2,1-4H3,(H,25,28)/t15-/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	242	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220236 ((2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyri...) Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C26H29N5O3/c1-18-16-31(26(33)34-17-20-8-4-3-5-9-20)19(2)15-30(18)24-13-12-21(14-28-24)25(32)29-23-11-7-6-10-22(23)27/h3-14,18-19H,15-17,27H2,1-2H3,(H,29,32)/t18-,19+/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	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	272	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220242 ((S)-N-(2-aminophenyl)-6-(3-benzylpiperazin-1-yl)ni...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCN[C@@H](Cc2ccccc2)C1 Show InChI InChI=1S/C23H25N5O/c24-20-8-4-5-9-21(20)27-23(29)18-10-11-22(26-15-18)28-13-12-25-19(16-28)14-17-6-2-1-3-7-17/h1-11,15,19,25H,12-14,16,24H2,(H,27,29)/t19-/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	301	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220243 ((S)-N-(2-aminophenyl)-6-(3-isopropylpiperazin-1-yl...) Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C19H25N5O/c1-13(2)17-12-24(10-9-21-17)18-8-7-14(11-22-18)19(25)23-16-6-4-3-5-15(16)20/h3-8,11,13,17,21H,9-10,12,20H2,1-2H3,(H,23,25)/t17-/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	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220269 (6-(2,5-diaza-bicyclo[2.2.1]heptan-2-yl)-N-(2-amino...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CC1CN2 |w:18.19,20.21,THB:13:16:19:22.21| Show InChI InChI=1S/C17H19N5O/c18-14-3-1-2-4-15(14)21-17(23)11-5-6-16(20-8-11)22-10-12-7-13(22)9-19-12/h1-6,8,12-13,19H,7,9-10,18H2,(H,21,23)	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	307	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220257 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES CC(C)[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C27H31N5O3/c1-19(2)24-17-31(14-15-32(24)27(34)35-18-20-8-4-3-5-9-20)25-13-12-21(16-29-25)26(33)30-23-11-7-6-10-22(23)28/h3-13,16,19,24H,14-15,17-18,28H2,1-2H3,(H,30,33)/t24-/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	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220241 ((S)-tert-butyl 4-(5-((2-aminophenyl)carbamoyl)pyri...) Show SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]1Cc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C28H33N5O3/c1-28(2,3)36-27(35)33-16-15-32(19-22(33)17-20-9-5-4-6-10-20)25-14-13-21(18-30-25)26(34)31-24-12-8-7-11-23(24)29/h4-14,18,22H,15-17,19,29H2,1-3H3,(H,31,34)/t22-/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	352	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220251 (6-(2,5-diaza-bicyclo[2.2.2]octan-2-yl)-N-(2-aminop...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CC2CCC1CN2 |w:18.19,21.24,THB:13:16:23.22:19.20| Show InChI InChI=1S/C18H21N5O/c19-15-3-1-2-4-16(15)22-18(24)12-5-8-17(21-9-12)23-11-13-6-7-14(23)10-20-13/h1-5,8-9,13-14,20H,6-7,10-11,19H2,(H,22,24)	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	405	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220233 ((S)-N-(2-aminophenyl)-6-(3-methylpiperazin-1-yl)ni...) Show SMILES C[C@H]1CN(CCN1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C17H21N5O/c1-12-11-22(9-8-19-12)16-7-6-13(10-20-16)17(23)21-15-5-3-2-4-14(15)18/h2-7,10,12,19H,8-9,11,18H2,1H3,(H,21,23)/t12-/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	435	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220229 (CHEMBL392644 | N-(2-aminophenyl)-6-(3,3-dimethylpi...) Show SMILES CC1(C)CN(CCN1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C18H23N5O/c1-18(2)12-23(10-9-21-18)16-8-7-13(11-20-16)17(24)22-15-6-4-3-5-14(15)19/h3-8,11,21H,9-10,12,19H2,1-2H3,(H,22,24)	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	529	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220250 (CHEMBL237326 | N-(2-aminophenyl)-6-((2R,5S)-2,5-di...) Show SMILES C[C@H]1CN([C@H](C)CN1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C18H23N5O/c1-12-11-23(13(2)9-20-12)17-8-7-14(10-21-17)18(24)22-16-6-4-3-5-15(16)19/h3-8,10,12-13,20H,9,11,19H2,1-2H3,(H,22,24)/t12-,13+/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	582	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220249 (CHEMBL238211 | N-(2-aminophenyl)-6-(hexahydro-1H-p...) Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCN2CCCCC2C1 |w:24.27| Show InChI InChI=1S/C20H25N5O/c21-17-6-1-2-7-18(17)23-20(26)15-8-9-19(22-13-15)25-12-11-24-10-4-3-5-16(24)14-25/h1-2,6-9,13,16H,3-5,10-12,14,21H2,(H,23,26)	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	588	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220239 (CHEMBL393116 | tert-butyl 5-(5-((2-aminophenyl)car...) Show SMILES CC(C)(C)OC(=O)N1CC2CCC1CN2c1ccc(cn1)C(=O)Nc1ccccc1N |w:12.13,9.8,TLB:15:14:7.8:11.10,5:7:14.13:11.10| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-14-16-9-10-17(28)13-27(16)20-11-8-15(12-25-20)21(29)26-19-7-5-4-6-18(19)24/h4-8,11-12,16-17H,9-10,13-14,24H2,1-3H3,(H,26,29)	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	669	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220245 (CHEMBL538906 | N-(2-aminophenyl)-6-((3S,5R)-3,5-di...) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(cn1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C18H23N5O/c1-12-10-23(11-13(2)21-12)17-8-7-14(9-20-17)18(24)22-16-6-4-3-5-15(16)19/h3-9,12-13,21H,10-11,19H2,1-2H3,(H,22,24)/t12-,13+	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	821	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	939	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220262 (CHEMBL236679 | benzyl 2-((5-((2-aminophenyl)carbam...) Show SMILES CN(CCN(C)c1ccc(cn1)C(=O)Nc1ccccc1N)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H27N5O3/c1-28(14-15-29(2)24(31)32-17-18-8-4-3-5-9-18)22-13-12-19(16-26-22)23(30)27-21-11-7-6-10-20(21)25/h3-13,16H,14-15,17,25H2,1-2H3,(H,27,30)	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	963	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity against human serotonin transporter				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity against human dopamine transporter				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity against human MAPK3				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50220259 (CHEMBL236678 | N-(2-aminophenyl)nicotinamide) Show SMILES Nc1ccccc1NC(=O)c1cccnc1 Show InChI InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,13H2,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair

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