Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'lee' and Initial = 'si'   

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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50173165 (CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...) Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9| Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50173163 (3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...) Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1 |w:8.8| Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50173165 (CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...) Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9| Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50173163 (3-[N'-(4,5-Dihydro-oxazol-2-yl)-N-p-tolyl-hydrazin...) Show SMILES Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1 |w:8.8| Show InChI InChI=1S/C16H17N3O2/c1-12-5-7-13(8-6-12)19(18-16-17-9-10-21-16)14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50173162 (CHEMBL362954 | N'-(4,5-Dihydro-1H-imidazol-2-yl)-N...) Show SMILES [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H20N4O/c1-13-6-8-14(9-7-13)21(20-17-18-10-11-19-17)15-4-3-5-16(12-15)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50173164 (3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hyd...) Show SMILES [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.7	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.6	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Histone deacetylase (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells				Bioorg Med Chem Lett 17: 4753-5 (2007) Article DOI: 10.1016/j.bmcl.2007.06.060 BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50476976 (CHEBI:8329 | Pomiferin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])c(-[#8])c3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:26| Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells				Bioorg Med Chem Lett 17: 4753-5 (2007) Article DOI: 10.1016/j.bmcl.2007.06.060 BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50442397 (OSAJIN) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])cc3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:25| Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells				Bioorg Med Chem Lett 17: 4753-5 (2007) Article DOI: 10.1016/j.bmcl.2007.06.060 BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
					More data for this Ligand-Target Pair