Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'belfield' and Initial = 'a'   

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))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153832 (3-Fluoro-N-{4-methyl-3-[4-(thiazol-4-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1 Show InChI InChI=1S/C29H27FN4O4S/c1-19-2-5-23(32-29(36)21-12-22(30)14-25(13-21)34-8-10-37-11-9-34)15-27(19)33-28(35)20-3-6-26(7-4-20)38-16-24-17-39-18-31-24/h2-7,12-15,17-18H,8-11,16H2,1H3,(H,32,36)(H,33,35)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153846 (4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1 Show InChI InChI=1S/C29H28N4O4S/c1-20-5-8-23(31-29(35)22-3-2-4-25(15-22)33-11-13-36-14-12-33)16-27(20)32-28(34)21-6-9-26(10-7-21)37-17-24-18-38-19-30-24/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,31,35)(H,32,34)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153821 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-4-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1 Show InChI InChI=1S/C31H29FN4O4/c1-21-2-5-26(34-31(38)24-16-25(32)18-27(17-24)36-12-14-39-15-13-36)19-29(21)35-30(37)23-3-6-28(7-4-23)40-20-22-8-10-33-11-9-22/h2-11,16-19H,12-15,20H2,1H3,(H,34,38)(H,35,37)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153848 (CHEMBL184012 | N-{4-Methyl-3-[4-(pyridin-2-ylmetho...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C30H29N5O4/c1-21-5-8-24(33-30(37)23-11-13-32-28(18-23)35-14-16-38-17-15-35)19-27(21)34-29(36)22-6-9-26(10-7-22)39-20-25-4-2-3-12-31-25/h2-13,18-19H,14-17,20H2,1H3,(H,33,37)(H,34,36)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153847 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)	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
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153840 (4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1 Show InChI InChI=1S/C31H30N4O4/c1-22-5-8-26(33-31(37)25-3-2-4-27(19-25)35-15-17-38-18-16-35)20-29(22)34-30(36)24-6-9-28(10-7-24)39-21-23-11-13-32-14-12-23/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)	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
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153833 (CHEMBL365688 | N-{4-Methyl-3-[4-(pyridin-2-ylmetho...) Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C32H29F3N4O4/c1-21-5-8-25(37-31(41)23-16-24(32(33,34)35)18-27(17-23)39-12-14-42-15-13-39)19-29(21)38-30(40)22-6-9-28(10-7-22)43-20-26-4-2-3-11-36-26/h2-11,16-19H,12-15,20H2,1H3,(H,37,41)(H,38,40)	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
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153845 (4-methyl-3-[4-(2-methyl-1,3-thiazol-4-ylmethoxy)ph...) Show SMILES Cc1nc(COc2ccc(cc2)C(=O)Nc2cc(NC(=O)c3cccc(c3)N3CCOCC3)ccc2C)cs1 Show InChI InChI=1S/C30H30N4O4S/c1-20-6-9-24(32-30(36)23-4-3-5-26(16-23)34-12-14-37-15-13-34)17-28(20)33-29(35)22-7-10-27(11-8-22)38-18-25-19-39-21(2)31-25/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,32,36)(H,33,35)	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
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153826 (3-(4-benzyloxyphenylcarboxamido)-4-methyl-1-[3-(1,...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C32H31N3O4/c1-23-10-13-27(33-32(37)26-8-5-9-28(20-26)35-16-18-38-19-17-35)21-30(23)34-31(36)25-11-14-29(15-12-25)39-22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)(H,34,36)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153829 (4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153825 (1-(3-dimethylaminophenylcarboxamido)-4-methyl-3-[4...) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 Show InChI InChI=1S/C29H28N4O3/c1-20-10-13-23(31-29(35)22-7-6-9-25(17-22)33(2)3)18-27(20)32-28(34)21-11-14-26(15-12-21)36-19-24-8-4-5-16-30-24/h4-18H,19H2,1-3H3,(H,31,35)(H,32,34)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153830 (CHEMBL187378 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES CCOc1ccc(cc1OCC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C27H31N3O4/c1-6-33-24-14-12-20(16-25(24)34-7-2)27(32)29-23-17-21(13-11-18(23)3)28-26(31)19-9-8-10-22(15-19)30(4)5/h8-17H,6-7H2,1-5H3,(H,28,31)(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	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153834 (1-(3-dimethylaminophenylcarboxamido)-3-(4-ethoxyph...) Show SMILES CCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C25H27N3O3/c1-5-31-22-13-10-18(11-14-22)24(29)27-23-16-20(12-9-17(23)2)26-25(30)19-7-6-8-21(15-19)28(3)4/h6-16H,5H2,1-4H3,(H,26,30)(H,27,29)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153843 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O4/c1-21-5-8-25(34-31(38)23-16-24(32)18-27(17-23)36-12-14-39-15-13-36)19-29(21)35-30(37)22-6-9-28(10-7-22)40-20-26-4-2-3-11-33-26/h2-11,16-19H,12-15,20H2,1H3,(H,34,38)(H,35,37)	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
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153828 (4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cccnc2)cc1 Show InChI InChI=1S/C31H30N4O4/c1-22-7-10-26(33-31(37)25-5-2-6-27(18-25)35-14-16-38-17-15-35)19-29(22)34-30(36)24-8-11-28(12-9-24)39-21-23-4-3-13-32-20-23/h2-13,18-20H,14-17,21H2,1H3,(H,33,37)(H,34,36)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153844 (3-Fluoro-N-{4-methyl-3-[4-(2-methyl-thiazol-4-ylme...) Show SMILES Cc1nc(COc2ccc(cc2)C(=O)Nc2cc(NC(=O)c3cc(F)cc(c3)N3CCOCC3)ccc2C)cs1 Show InChI InChI=1S/C30H29FN4O4S/c1-19-3-6-24(33-30(37)22-13-23(31)15-26(14-22)35-9-11-38-12-10-35)16-28(19)34-29(36)21-4-7-27(8-5-21)39-17-25-18-40-20(2)32-25/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,33,37)(H,34,36)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153841 (CHEMBL187327 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C)c(OC)c1 Show InChI InChI=1S/C25H27N3O4/c1-16-9-10-18(26-24(29)17-7-6-8-19(13-17)28(2)3)14-22(16)27-25(30)21-12-11-20(31-4)15-23(21)32-5/h6-15H,1-5H3,(H,26,29)(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	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153838 (1-(3-dimethylaminophenylcarboxamido)-3-(4-isopropo...) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C26H29N3O3/c1-17(2)32-23-13-10-19(11-14-23)25(30)28-24-16-21(12-9-18(24)3)27-26(31)20-7-6-8-22(15-20)29(4)5/h6-17H,1-5H3,(H,27,31)(H,28,30)	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	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153837 (1-(3-dimethylaminophenylcarboxamido)-3-(4-methoxyp...) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C24H25N3O3/c1-16-8-11-19(25-24(29)18-6-5-7-20(14-18)27(2)3)15-22(16)26-23(28)17-9-12-21(30-4)13-10-17/h5-15H,1-4H3,(H,25,29)(H,26,28)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153849 (CHEMBL413558 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C25H27N3O4/c1-16-9-11-19(26-24(29)17-7-6-8-20(13-17)28(2)3)15-21(16)27-25(30)18-10-12-22(31-4)23(14-18)32-5/h6-15H,1-5H3,(H,26,29)(H,27,30)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153835 (1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyp...) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 Show InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153822 (CHEMBL183100 | N-[2-Chloro-5-(3-dimethylamino-benz...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1Cl Show InChI InChI=1S/C24H24ClN3O4/c1-28(2)18-7-5-6-15(12-18)23(29)26-17-9-10-19(25)20(14-17)27-24(30)16-8-11-21(31-3)22(13-16)32-4/h5-14H,1-4H3,(H,26,29)(H,27,30)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153824 (CHEMBL186542 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C26H29N3O5/c1-16-10-11-19(27-25(30)17-8-7-9-20(12-17)29(2)3)15-21(16)28-26(31)18-13-22(32-4)24(34-6)23(14-18)33-5/h7-15H,1-6H3,(H,27,30)(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	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153820 (1-(3-dimethylaminophenylcarboxamido)-3-[4-(2-metho...) Show SMILES COCCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C26H29N3O4/c1-18-8-11-21(27-26(31)20-6-5-7-22(16-20)29(2)3)17-24(18)28-25(30)19-9-12-23(13-10-19)33-15-14-32-4/h5-13,16-17H,14-15H2,1-4H3,(H,27,31)(H,28,30)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153827 (1-(3-dimethylaminophenylcarboxamido)-3-[4-(2-ethox...) Show SMILES CCOCCOc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C27H31N3O4/c1-5-33-15-16-34-24-13-10-20(11-14-24)26(31)29-25-18-22(12-9-19(25)2)28-27(32)21-7-6-8-23(17-21)30(3)4/h6-14,17-18H,5,15-16H2,1-4H3,(H,28,32)(H,29,31)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153823 (CHEMBL184347 | N-[2-Bromo-5-(3-dimethylamino-benzo...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1Br Show InChI InChI=1S/C24H24BrN3O4/c1-28(2)18-7-5-6-15(12-18)23(29)26-17-9-10-19(25)20(14-17)27-24(30)16-8-11-21(31-3)22(13-16)32-4/h5-14H,1-4H3,(H,26,29)(H,27,30)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153842 (CHEMBL188122 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1F Show InChI InChI=1S/C24H24FN3O4/c1-28(2)18-7-5-6-15(12-18)23(29)26-17-9-10-19(25)20(14-17)27-24(30)16-8-11-21(31-3)22(13-16)32-4/h5-14H,1-4H3,(H,26,29)(H,27,30)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347387 (CHEMBL1801172) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50153835 (1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyp...) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1 Show InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of protein kinase c-raf				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153839 (CHEMBL187055 | N-[5-(3-Dimethylamino-benzoylamino)...) Show SMILES COc1ccc(cc1OC)C(=O)N(C)c1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C Show InChI InChI=1S/C26H29N3O4/c1-17-10-12-20(27-25(30)18-8-7-9-21(14-18)28(2)3)16-22(17)29(4)26(31)19-11-13-23(32-5)24(15-19)33-6/h7-16H,1-6H3,(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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair

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