BindingDB PrimarySearch

null

SMILES: CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

InChI Key: InChIKey=HKSZLNNOFSGOKW-FYTWVXJKSA-N

PDB links: 27 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2367 hits for monomerid = 2579
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein kinase C alpha type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 1				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged Plk1 in presence of 3.12 mM of ATP				Bioorg Med Chem 21: 608-17 (2013) Article DOI: 10.1016/j.bmc.2012.11.054 BindingDB Entry DOI: 10.7270/Q2QZ2C94
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged Plk1 in presence of 62.5 uM of ATP				Bioorg Med Chem 21: 608-17 (2013) Article DOI: 10.1016/j.bmc.2012.11.054 BindingDB Entry DOI: 10.7270/Q2QZ2C94
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
The Rockefeller University Curated by ChEMBL					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 Show InChI	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of ALK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence micropl...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	405	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of c-Met using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					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 Show InChI	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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of ZAP70 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of CHK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					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 Show InChI	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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of CHK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate ...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					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 Show InChI	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	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of c-Src using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					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 Show InChI	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of LCK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate a...				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
Universit£ di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Oxford University Curated by ChEMBL					Assay Description Binding affinity to non phosphorylated PIM1				J Med Chem 48: 7604-14 (2005) Article DOI: 10.1021/jm0504858 BindingDB Entry DOI: 10.7270/Q2Q52R4H
Oxford University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	850	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK1 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
Ewha Womans University Curated by ChEMBL					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK2 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
Ewha Womans University Curated by ChEMBL					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK3 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
Ewha Womans University Curated by ChEMBL					More data for this Ligand-Target Pair
Activin receptor type-1B (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of ALK4 (unknown origin) by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
Ewha Womans University Curated by ChEMBL					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB MMDB 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	>1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
Ewha Womans University Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method				Bioorg Med Chem 22: 2947-54 (2014) Article DOI: 10.1016/j.bmc.2014.04.005 BindingDB Entry DOI: 10.7270/Q25B041Q
Nanjing University Curated by ChEMBL					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 Show InChI	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	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A2 (unknown origin)				Eur J Med Chem 83: 630-45 (2014) Article DOI: 10.1016/j.ejmech.2014.06.033 BindingDB Entry DOI: 10.7270/Q2BZ67MM
Jamia Hamdard (Hamdard University) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
Georgetown University Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human I-kappa-B-kinase beta				Bioorg Med Chem Lett 14: 4013-7 (2004) Article DOI: 10.1016/j.bmcl.2004.05.040 BindingDB Entry DOI: 10.7270/Q2PC31VC
Kyoto 619-0216 Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	710	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for BTK; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for MAP4K5; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ULK3 (Mus musculus)	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ULK3 m; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	0.5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PHkg1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	9	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PRKAA1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	160	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ABL2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform gamma-2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CSNK1G2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	30	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CAMK1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	340	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for JNK3; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					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 Show InChI	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	n/a	8.10	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CDK2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Ephrin type-A receptor 6 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for EPHA6; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 36 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK36; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB MMDB 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	n/a	70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for EGFR; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	100	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for KIT; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	340	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ABL1(H396P) ; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	7	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for SYK; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	240	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for TEK; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					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 Show InChI	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	n/a	15	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PIM1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	200	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK16; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	16	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for Aurora2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	2	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CAMK1D; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for AAK1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	870	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for EPHA2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 16 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	25	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PCTK1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005) Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair

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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 2579
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)	Serine/threonine-protein kinase PIM (Homo sapiens (Human))	CHEBI KEGG MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB		-11.5	-3.33	-8.09	8.85	7.5	10
	Oxford University	CHEBI KEGG MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB		J Med Chem 48: 7604-14 (2005)