Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50001744   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361175 (CHEMBL4168763) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCC(=O)NO)n1 Show InChI InChI=1S/C28H35N7O5S/c1-41(39,40)34-23-7-5-20(6-8-23)25-13-17-30-28(32-25)31-22-9-11-24(12-10-22)35-18-14-21(15-19-35)27(37)29-16-3-2-4-26(36)33-38/h5-13,17,21,34,38H,2-4,14-16,18-19H2,1H3,(H,29,37)(H,33,36)(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361176 (CHEMBL4172110) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NO)n1 Show InChI InChI=1S/C23H26N6O4S/c1-34(32,33)28-19-4-2-16(3-5-19)21-10-13-24-23(26-21)25-18-6-8-20(9-7-18)29-14-11-17(12-15-29)22(30)27-31/h2-10,13,17,28,31H,11-12,14-15H2,1H3,(H,27,30)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361172 (CHEMBL4175964) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCC(=O)NO)n1 Show InChI InChI=1S/C27H33N7O5S/c1-40(38,39)33-22-6-4-19(5-7-22)24-12-16-29-27(31-24)30-21-8-10-23(11-9-21)34-17-13-20(14-18-34)26(36)28-15-2-3-25(35)32-37/h4-12,16,20,33,37H,2-3,13-15,17-18H2,1H3,(H,28,36)(H,32,35)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361180 (CHEMBL4164238) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C29H31N7O3S/c1-40(38,39)35-23-8-6-20(7-9-23)26-14-17-31-29(34-26)32-22-10-12-24(13-11-22)36-18-15-21(16-19-36)28(37)33-27-5-3-2-4-25(27)30/h2-14,17,21,35H,15-16,18-19,30H2,1H3,(H,33,37)(H,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361174 (CHEMBL4167685) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(cc2)C(=O)NO)n1 Show InChI InChI=1S/C30H31N7O5S/c1-43(41,42)36-25-8-2-20(3-9-25)27-14-17-31-30(34-27)33-24-10-12-26(13-11-24)37-18-15-22(16-19-37)28(38)32-23-6-4-21(5-7-23)29(39)35-40/h2-14,17,22,36,40H,15-16,18-19H2,1H3,(H,32,38)(H,35,39)(H,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361182 (CHEMBL4167286) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C30H39N7O5S/c1-43(41,42)36-25-9-7-22(8-10-25)27-15-19-32-30(34-27)33-24-11-13-26(14-12-24)37-20-16-23(17-21-37)29(39)31-18-5-3-2-4-6-28(38)35-40/h7-15,19,23,36,40H,2-6,16-18,20-21H2,1H3,(H,31,39)(H,35,38)(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361178 (CHEMBL4160833) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)n1 Show InChI InChI=1S/C29H37N7O5S/c1-42(40,41)35-24-8-6-21(7-9-24)26-14-18-31-29(33-26)32-23-10-12-25(13-11-23)36-19-15-22(16-20-36)28(38)30-17-4-2-3-5-27(37)34-39/h6-14,18,22,35,39H,2-5,15-17,19-20H2,1H3,(H,30,38)(H,34,37)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361179 (CHEMBL4162254) Show SMILES ONC(=O)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C25H25N7O3/c26-12-14-27-23(33)18-3-1-17(2-4-18)22-9-13-28-25(30-22)29-20-5-7-21(8-6-20)32-15-10-19(11-16-32)24(34)31-35/h1-9,13,19,35H,10-11,14-16H2,(H,27,33)(H,31,34)(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361173 (CHEMBL4170168) Show SMILES Nc1ccccc1NC(=O)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C31H30N8O2/c32-16-18-34-29(40)22-7-5-21(6-8-22)27-13-17-35-31(38-27)36-24-9-11-25(12-10-24)39-19-14-23(15-20-39)30(41)37-28-4-2-1-3-26(28)33/h1-13,17,23H,14-15,18-20,33H2,(H,34,40)(H,37,41)(H,35,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361184 (CHEMBL4169802) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C2CCN(CC2)c2ccc(Nc3nccc(n3)-c3ccc(cc3)C(=O)NCC#N)cc2)cc1 Show InChI InChI=1S/C34H32N8O4/c35-18-20-36-32(44)25-6-4-24(5-7-25)30-15-19-37-34(40-30)39-28-10-12-29(13-11-28)42-21-16-26(17-22-42)33(45)38-27-8-1-23(2-9-27)3-14-31(43)41-46/h1-15,19,26,46H,16-17,20-22H2,(H,36,44)(H,38,45)(H,41,43)(H,37,39,40)/b14-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361185 (CHEMBL4168707) Show SMILES ONC(=O)c1ccc(NC(=O)C2CCN(CC2)c2ccc(Nc3nccc(n3)-c3ccc(cc3)C(=O)NCC#N)cc2)cc1 Show InChI InChI=1S/C32H30N8O4/c33-16-18-34-29(41)22-3-1-21(2-4-22)28-13-17-35-32(38-28)37-26-9-11-27(12-10-26)40-19-14-24(15-20-40)30(42)36-25-7-5-23(6-8-25)31(43)39-44/h1-13,17,24,44H,14-15,18-20H2,(H,34,41)(H,36,42)(H,39,43)(H,35,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361181 (CHEMBL4165344) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCc2ccc(cc2)C(=O)NO)n1 Show InChI InChI=1S/C31H33N7O5S/c1-44(42,43)37-26-8-6-22(7-9-26)28-14-17-32-31(35-28)34-25-10-12-27(13-11-25)38-18-15-24(16-19-38)29(39)33-20-21-2-4-23(5-3-21)30(40)36-41/h2-14,17,24,37,41H,15-16,18-20H2,1H3,(H,33,39)(H,36,40)(H,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					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	40	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361183 (CHEMBL4168767) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C27H26N6O2/c28-23-3-1-2-4-25(23)31-26(34)20-7-5-19(6-8-20)24-13-14-29-27(32-24)30-21-9-11-22(12-10-21)33-15-17-35-18-16-33/h1-14H,15-18,28H2,(H,31,34)(H,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition an...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361182 (CHEMBL4167286) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C30H39N7O5S/c1-43(41,42)36-25-9-7-22(8-10-25)27-15-19-32-30(34-27)33-24-11-13-26(14-12-24)37-20-16-23(17-21-37)29(39)31-18-5-3-2-4-6-28(38)35-40/h7-15,19,23,36,40H,2-6,16-18,20-21H2,1H3,(H,31,39)(H,35,38)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361178 (CHEMBL4160833) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)n1 Show InChI InChI=1S/C29H37N7O5S/c1-42(40,41)35-24-8-6-21(7-9-24)26-14-18-31-29(33-26)32-23-10-12-25(13-11-23)36-19-15-22(16-20-36)28(38)30-17-4-2-3-5-27(37)34-39/h6-14,18,22,35,39H,2-5,15-17,19-20H2,1H3,(H,30,38)(H,34,37)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50361171 (CHEMBL4175555) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(\C=C\C(=O)NO)cc2)n1 Show InChI InChI=1S/C32H33N7O5S/c1-45(43,44)38-27-9-5-23(6-10-27)29-16-19-33-32(36-29)35-26-11-13-28(14-12-26)39-20-17-24(18-21-39)31(41)34-25-7-2-22(3-8-25)4-15-30(40)37-42/h2-16,19,24,38,42H,17-18,20-21H2,1H3,(H,34,41)(H,37,40)(H,33,35,36)/b15-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	359	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361174 (CHEMBL4167685) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccc(cc2)C(=O)NO)n1 Show InChI InChI=1S/C30H31N7O5S/c1-43(41,42)36-25-8-2-20(3-9-25)27-14-17-31-30(34-27)33-24-10-12-26(13-11-24)37-18-15-22(16-19-37)28(38)32-23-6-4-21(5-7-23)29(39)35-40/h2-14,17,22,36,40H,15-16,18-19H2,1H3,(H,32,38)(H,35,39)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	419	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	419	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50361170 (CHEMBL4159366) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C31H41N7O5S/c1-44(42,43)37-26-10-8-23(9-11-26)28-16-20-33-31(35-28)34-25-12-14-27(15-13-25)38-21-17-24(18-22-38)30(40)32-19-6-4-2-3-5-7-29(39)36-41/h8-16,20,24,37,41H,2-7,17-19,21-22H2,1H3,(H,32,40)(H,36,39)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	572	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His tagged human HDAC8 expressed in Baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	609	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His tagged human HDAC8 expressed in Baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361181 (CHEMBL4165344) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCc2ccc(cc2)C(=O)NO)n1 Show InChI InChI=1S/C31H33N7O5S/c1-44(42,43)37-26-8-6-22(7-9-26)28-14-17-32-31(35-28)34-25-10-12-27(13-11-25)38-18-15-24(16-19-38)29(39)33-20-21-2-4-23(5-3-21)30(40)36-41/h2-14,17,24,37,41H,15-16,18-20H2,1H3,(H,33,39)(H,36,40)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361173 (CHEMBL4170168) Show SMILES Nc1ccccc1NC(=O)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C31H30N8O2/c32-16-18-34-29(40)22-7-5-21(6-8-22)27-13-17-35-31(38-27)36-24-9-11-25(12-10-24)39-19-14-23(15-20-39)30(41)37-28-4-2-1-3-26(28)33/h1-13,17,23H,14-15,18-20,33H2,(H,34,40)(H,37,41)(H,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50361177 (CHEMBL4160840) Show SMILES ONC(=O)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H21N5O3/c27-20(25-28)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)26-11-13-29-14-12-26/h1-10,28H,11-14H2,(H,25,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition an...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361180 (CHEMBL4164238) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C29H31N7O3S/c1-40(38,39)35-23-8-6-20(7-9-23)26-14-17-31-29(34-26)32-22-10-12-24(13-11-22)36-18-15-21(16-19-36)28(37)33-27-5-3-2-4-25(27)30/h2-14,17,21,35H,15-16,18-19,30H2,1H3,(H,33,37)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361175 (CHEMBL4168763) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCC(=O)NO)n1 Show InChI InChI=1S/C28H35N7O5S/c1-41(39,40)34-23-7-5-20(6-8-23)25-13-17-30-28(32-25)31-22-9-11-24(12-10-22)35-18-14-21(15-19-35)27(37)29-16-3-2-4-26(36)33-38/h5-13,17,21,34,38H,2-4,14-16,18-19H2,1H3,(H,29,37)(H,33,36)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361179 (CHEMBL4162254) Show SMILES ONC(=O)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1 Show InChI InChI=1S/C25H25N7O3/c26-12-14-27-23(33)18-3-1-17(2-4-18)22-9-13-28-25(30-22)29-20-5-7-21(8-6-20)32-15-10-19(11-16-32)24(34)31-35/h1-9,13,19,35H,10-11,14-16H2,(H,27,33)(H,31,34)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361176 (CHEMBL4172110) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NO)n1 Show InChI InChI=1S/C23H26N6O4S/c1-34(32,33)28-19-4-2-16(3-5-19)21-10-13-24-23(26-21)25-18-6-8-20(9-7-18)29-14-11-17(12-15-29)22(30)27-31/h2-10,13,17,28,31H,11-12,14-15H2,1H3,(H,27,30)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361184 (CHEMBL4169802) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C2CCN(CC2)c2ccc(Nc3nccc(n3)-c3ccc(cc3)C(=O)NCC#N)cc2)cc1 Show InChI InChI=1S/C34H32N8O4/c35-18-20-36-32(44)25-6-4-24(5-7-25)30-15-19-37-34(40-30)39-28-10-12-29(13-11-28)42-21-16-26(17-22-42)33(45)38-27-8-1-23(2-9-27)3-14-31(43)41-46/h1-15,19,26,46H,16-17,20-22H2,(H,36,44)(H,38,45)(H,41,43)(H,37,39,40)/b14-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
					More data for this Ligand-Target Pair

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