Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'ludwig' and Initial = 'j'   

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 SYK (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	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of SYK				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase alpha-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	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RSK1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (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	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PHKgamma2				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
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	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CHK1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-derived growth factor receptor alpha (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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CAMK2B				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of JAK3				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase 3 (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	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of MST2				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Misshapen-like 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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of MINK				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of LYN				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Death-associated 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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of DAPK1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C alpha 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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PKCalpha				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185354 (3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (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 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	1	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of FLT3				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PAK2				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Rho-associated 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	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of cSRC				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
High affinity nerve growth factor 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 MMDB 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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Trk-A				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of FLT4				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PIM1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of KDR				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (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	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of LCK				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185354 (3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185348 (3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50277800 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-c...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ncc3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-12-23(13-10-19)31-18-22(28)17-27-24-14-11-20(25(29)30)15-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)	PDB MMDB 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
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of GSK3B				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of AKT1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185351 (3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CHK2				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185350 (1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Insulin 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 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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of IR				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 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	9	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of FGFR1				J Med Chem 52: 3191-204 (2009) Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of FAAH from rat brain microsomes by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185349 (3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50110846 (4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50110846 (4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...) Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185345 (3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)	PDB MMDB 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
University of Münster Curated by ChEMBL					Assay Description Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185351 (3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185345 (3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)	PDB MMDB 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
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185345 (3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)	PDB MMDB 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
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185349 (3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)	PDB MMDB 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
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185351 (3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Münster Curated by ChEMBL					Assay Description Inhibition of human isolated cPLA2alpha by vescicle assay				J Med Chem 49: 2611-20 (2006) Article DOI: 10.1021/jm051243a BindingDB Entry DOI: 10.7270/Q2668CSF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50185349 (3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1 Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)	PDB MMDB 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
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50277799 (1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...) Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)	PDB MMDB 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
University of M£nster Curated by ChEMBL					Assay Description Inhibition of cPLA2 from human platelets by RP-HPLC				Bioorg Med Chem 18: 945-52 (2010) Article DOI: 10.1016/j.bmc.2009.11.028 BindingDB Entry DOI: 10.7270/Q2N016MF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 268 total )  |  Next  |  Last  >>

Jump to: