Compile Data Set for Download or QSAR

Found 481 hits with Last Name = 'bower' and Initial = 'm'   

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
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	15	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	16	-45.2	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	23	-43.2	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	41	-42.9	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	95	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13465 ((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r| Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay				J Med Chem 48: 6544-8 (2005) Article DOI: 10.1021/jm0504555 BindingDB Entry DOI: 10.7270/Q2805252
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300312 (4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...) Show SMILES Nc1nonc1C(NO)=NCc1ccccc1 |w:9.10| Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...				J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.60E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10| Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Competitive inhibition of IDO1 (unknown origin)				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM125913 (US8765727, 16) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H18BrClN4O/c21-15-7-14-9-17(10-15)27-6-2-4-13-3-1-5-16(8-13)25-20-24-12-18(22)19(26-20)23-11-14/h1,3,5,7-10,12H,2,4,6,11H2,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203526 ((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099348 (2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c(C)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)15-17)33-26-29-14-11-22(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125904 (US8765727, 7) Show SMILES Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O2/c20-17-12-22-19-23-14-4-2-6-16(10-14)26-8-7-25-15-5-1-3-13(9-15)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099358 (2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099373 (2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...) Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM125904 (US8765727, 7) Show SMILES Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O2/c20-17-12-22-19-23-14-4-2-6-16(10-14)26-8-7-25-15-5-1-3-13(9-15)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125899 (US8765727, 2) Show SMILES Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O/c20-17-12-22-19-23-15-5-1-3-13(9-15)7-8-25-16-6-2-4-14(10-16)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300306 (4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...) Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 |w:9.10| Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50189670 (5-{4-[(2S)-2-(5-chloro-1H-benzimidazol-2-yl)-2-({[...) Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)c2nc3ccc(Cl)cc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O Show InChI InChI=1S/C25H19ClF4N4O5S2/c26-15-5-7-19-20(11-15)32-24(31-19)21(33-40(36,37)16-3-1-2-14(10-16)25(28,29)30)9-13-4-6-17(18(27)8-13)22-12-23(35)34-41(22,38)39/h1-8,10-11,21-22,33H,9,12H2,(H2,31,32,34,35)/p-1/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP assay				J Med Chem 49: 3774-89 (2006) Article DOI: 10.1021/jm0600904 BindingDB Entry DOI: 10.7270/Q2JQ10M8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM125899 (US8765727, 2) Show SMILES Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O/c20-17-12-22-19-23-15-5-1-3-13(9-15)7-8-25-16-6-2-4-14(10-16)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099345 (2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50233431 (CHEMBL3979473 | US9789094, 5) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O Show InChI InChI=1S/C11H13ClFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300306 (4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...) Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 |w:9.10| Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry				J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM125899 (US8765727, 2) Show SMILES Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O/c20-17-12-22-19-23-15-5-1-3-13(9-15)7-8-25-16-6-2-4-14(10-16)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099343 (2-(2-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2F)n1 Show InChI InChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099367 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50233424 (CHEMBL4076756) Show SMILES CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C10H9BrFN5O2/c1-13-9-8(16-19-17-9)10(15-18)14-5-2-3-7(12)6(11)4-5/h2-4,18H,1H3,(H,13,17)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099349 (2-(2,3-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50189686 (CHEMBL381584 | N-(1S)-1-(1H-benzimidazol-2-yl)-2-{...) Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)c(F)c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H20F2N4O5S2/c25-15-4-3-5-16(12-15)36(32,33)29-21(24-27-19-6-1-2-7-20(19)28-24)11-14-8-9-17(18(26)10-14)22-13-23(31)30-37(22,34)35/h1-10,12,21-22,29H,11,13H2,(H2,27,28,30,31)/p-1/t21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP assay				J Med Chem 49: 3774-89 (2006) Article DOI: 10.1021/jm0600904 BindingDB Entry DOI: 10.7270/Q2JQ10M8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099342 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125913 (US8765727, 16) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H18BrClN4O/c21-15-7-14-9-17(10-15)27-6-2-4-13-3-1-5-16(8-13)25-20-24-12-18(22)19(26-20)23-11-14/h1,3,5,7-10,12H,2,4,6,11H2,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM125913 (US8765727, 16) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H18BrClN4O/c21-15-7-14-9-17(10-15)27-6-2-4-13-3-1-5-16(8-13)25-20-24-12-18(22)19(26-20)23-11-14/h1,3,5,7-10,12H,2,4,6,11H2,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50233430 (CHEMBL3955791 | US11207302, Example 2) Show SMILES CS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C12H14BrFN6O4S/c1-25(22,23)16-5-4-15-11-10(19-24-20-11)12(18-21)17-7-2-3-9(14)8(13)6-7/h2-3,6,16,21H,4-5H2,1H3,(H,15,20)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099355 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES COc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H24FN5O2/c1-32-20-6-8-21(9-7-20)33-25-28-15-12-22(30-25)24-23(17-2-4-18(26)5-3-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 1123-6 (2001) BindingDB Entry DOI: 10.7270/Q2028QTS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50125604 (1-[9-Benzyl-2-(2-fluoro-phenyl)-9H-purin-6-yl]-1-(...) Show SMILES NC(=O)N(c1nc(nc2n(Cc3ccccc3)cnc12)-c1ccccc1F)c1c(F)cccc1F Show InChI InChI=1S/C25H17F3N6O/c26-17-10-5-4-9-16(17)22-31-23-20(30-14-33(23)13-15-7-2-1-3-8-15)24(32-22)34(25(29)35)21-18(27)11-6-12-19(21)28/h1-12,14H,13H2,(H2,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human MAP p38-alpha kinase in vitro.				Bioorg Med Chem Lett 13: 1191-4 (2003) BindingDB Entry DOI: 10.7270/Q2MG7NW6
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50189659 (CHEMBL378614 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...) Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccc(Br)c(c2)C(F)(F)F)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O Show InChI InChI=1S/C26H22BrF3N4O5S2/c1-14-10-15(6-8-17(14)23-13-24(35)34-41(23,38)39)11-22(25-31-20-4-2-3-5-21(20)32-25)33-40(36,37)16-7-9-19(27)18(12-16)26(28,29)30/h2-10,12,22-23,33H,11,13H2,1H3,(H2,31,32,34,35)/p-1/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP assay				J Med Chem 49: 3774-89 (2006) Article DOI: 10.1021/jm0600904 BindingDB Entry DOI: 10.7270/Q2JQ10M8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM125904 (US8765727, 7) Show SMILES Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C19H17ClN4O2/c20-17-12-22-19-23-14-4-2-6-16(10-14)26-8-7-25-15-5-1-3-13(9-15)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125898 (US8765727, 1) Show SMILES Clc1cnc2Nc3cccc(COc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C18H15ClN4O/c19-16-10-21-18-22-14-5-1-4-13(7-14)11-24-15-6-2-3-12(8-15)9-20-17(16)23-18/h1-8,10H,9,11H2,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair

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