Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50002974   

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 JAK3 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of ZAP70 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SRC (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Protein kinase C delta type (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of PKCdelta (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465346 (CHEMBL4286991) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)C |r| Show InChI InChI=1S/C20H28O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,13,17,21H,4,6,8-10,12H2,1-3H3,(H,22,23)/t17-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin) by Lanthascreen assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) by Lanthascreen assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465342 (CHEMBL4293812) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C22H28O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,18H,1,5,7,9-11,13H2,2-4H3,(H,24,25)/t18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465348 (CHEMBL4292650) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)C |r| Show InChI InChI=1S/C22H30O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,24,25)/t18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of GSK3b (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50143600 (CHEBI:29571 | Dehydroabietic Acid) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C |r| Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465345 (18-Oxoferruginol | acs.jmedchem.1c00409_ST.768) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465347 (CHEBI:52486 | POMIFERIN A) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CO)C(C)C |r| Show InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465338 (15-Hydroxydehydroabietic Acid | CHEMBL598566) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)(C)O |r| Show InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465343 (CHEMBL4279751) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C20H26O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,17,21H,1,4,6,8-10,12H2,2-3H3,(H,22,23)/t17-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465340 (CHEMBL4278579) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)=O |r| Show InChI InChI=1S/C21H26O5/c1-13(22)14-5-7-16-15(11-14)6-8-17-20(16,2)9-4-10-21(17,19(24)25)12-18(23)26-3/h5,7,11,17H,4,6,8-10,12H2,1-3H3,(H,24,25)/t17-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465345 (18-Oxoferruginol | acs.jmedchem.1c00409_ST.768) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465348 (CHEMBL4292650) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)C |r| Show InChI InChI=1S/C22H30O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,24,25)/t18-,21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465339 (CHEMBL4285076) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)(C)O |r| Show InChI InChI=1S/C22H30O5/c1-20(2,26)15-7-8-16-14(12-15)6-9-17-21(16,3)10-5-11-22(17,19(24)25)13-18(23)27-4/h7-8,12,17,26H,5-6,9-11,13H2,1-4H3,(H,24,25)/t17-,21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465339 (CHEMBL4285076) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)(C)O |r| Show InChI InChI=1S/C22H30O5/c1-20(2,26)15-7-8-16-14(12-15)6-9-17-21(16,3)10-5-11-22(17,19(24)25)13-18(23)27-4/h7-8,12,17,26H,5-6,9-11,13H2,1-4H3,(H,24,25)/t17-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465346 (CHEMBL4286991) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)C |r| Show InChI InChI=1S/C20H28O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,13,17,21H,4,6,8-10,12H2,1-3H3,(H,22,23)/t17-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465341 (CHEMBL4289234) Show SMILES [H][C@@]12CCc3cc(O)ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O |r| Show InChI InChI=1S/C19H24O5/c1-18-8-3-9-19(17(22)23,11-16(21)24-2)15(18)7-4-12-10-13(20)5-6-14(12)18/h5-6,10,15,20H,3-4,7-9,11H2,1-2H3,(H,22,23)/t15-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465342 (CHEMBL4293812) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C22H28O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,18H,1,5,7,9-11,13H2,2-4H3,(H,24,25)/t18-,21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50143600 (CHEBI:29571 | Dehydroabietic Acid) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)C |r| Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465343 (CHEMBL4279751) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)=C |r| Show InChI InChI=1S/C20H26O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,17,21H,1,4,6,8-10,12H2,2-3H3,(H,22,23)/t17-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465344 (CHEMBL4294902) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)=O |r| Show InChI InChI=1S/C19H24O4/c1-12(21)13-4-6-15-14(10-13)5-7-16-18(15,2)8-3-9-19(16,11-20)17(22)23/h4,6,10,16,20H,3,5,7-9,11H2,1-2H3,(H,22,23)/t16-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465338 (15-Hydroxydehydroabietic Acid | CHEMBL598566) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C(O)=O)C(C)(C)O |r| Show InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465341 (CHEMBL4289234) Show SMILES [H][C@@]12CCc3cc(O)ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O |r| Show InChI InChI=1S/C19H24O5/c1-18-8-3-9-19(17(22)23,11-16(21)24-2)15(18)7-4-12-10-13(20)5-6-14(12)18/h5-6,10,15,20H,3-4,7-9,11H2,1-2H3,(H,22,23)/t15-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465344 (CHEMBL4294902) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@]2(CO)C(O)=O)C(C)=O |r| Show InChI InChI=1S/C19H24O4/c1-12(21)13-4-6-15-14(10-13)5-7-16-18(15,2)8-3-9-19(16,11-20)17(22)23/h4,6,10,16,20H,3,5,7-9,11H2,1-2H3,(H,22,23)/t16-,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465340 (CHEMBL4278579) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(CC(=O)OC)C(O)=O)C(C)=O |r| Show InChI InChI=1S/C21H26O5/c1-13(22)14-5-7-16-15(11-14)6-8-17-20(16,2)9-4-10-21(17,19(24)25)12-18(23)26-3/h5,7,11,17H,4,6,8-10,12H2,1-3H3,(H,24,25)/t17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair