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
Calcium/calmodulin-dependent protein kinase type II subunit delta (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	0.5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CAMK2D; 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
Vascular endothelial growth factor receptor 3 (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	n/a	31	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for FLT4; 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 Lyn (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	210	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for LYN; 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
Receptor-type tyrosine-protein kinase FLT3 (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	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for FLT3; 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
Fibroblast growth factor receptor 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	n/a	110	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for FGFR3; 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
Dual specificity protein kinase CLK4 (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	15	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CLK4; 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 PAK 6 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PAK6; 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
Fibroblast growth factor 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	160	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for FGFR2; 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
Fibroblast growth factor receptor 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	n/a	60	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for FGFR1; 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 38-like (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	77	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK38L; 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	400	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ABL1(M351T) ; 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 II subunit gamma (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	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 CAMK2G; 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
Death-associated protein kinase 2 (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 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 DAPK2; 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 II subunit alpha (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	0.100	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CAMK2A; 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
Myosin light chain kinase 2, skeletal/cardiac muscle (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	110	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for MYLK2; 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-G-associated kinase (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	68	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for GAK; 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, liver/testis 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	1	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PHkg2; 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
Aurora kinase C (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB 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	11	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for Aurora3; 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 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	690	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for EPHA7; 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
MAP kinase-interacting serine/threonine-protein kinase 2 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for MKNK2; 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)
Serine/threonine-protein kinase 3 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK3_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
Mitogen-activated protein kinase kinase kinase 5 (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 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	120	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for MAP3K5; 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)
Activated CDC42 kinase 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	17	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ACK1; 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
BMP-2-inducible protein kinase (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	3.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for BIKE; 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
Platelet-derived growth factor receptor beta (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	2.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PDGFRB; 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 HCK (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	12	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for HCK; 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	500	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for ABL1(Q252H) ; 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
Ribosomal protein S6 kinase alpha-5 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for RPS6KA5 (Kin.Dom 1); 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 JAK2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	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	n/a	11	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for JAK2 (Kin.Dom. 2); 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
High affinity nerve growth factor receptor (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 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 NTRK1; 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 9 (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	1.10E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for JNK2; 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 12 (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	92	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for p38-gamma; 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 Nek2 (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	740	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for NEK2; 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 17A (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	23	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK17A; 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 10 (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	0.0300	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK10; 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 Nek9 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	PDB 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	6.70E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for NEK9; 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
Insulin receptor (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Insulin receptor kinase in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					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	77	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of IL-8 release by HEK293 cells expressing PKC-beta2				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Protein kinase C gamma 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	59	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C gamma using [gamma-33P]-ATP				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	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 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
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase/extracellular signal-regulated kinase 2 in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Protein kinase C zeta 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Protein kinase C zeta				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C beta 2 using [gamma-33P]-ATP				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					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	63	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C beta 1 using [gamma-33P]-ATP				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (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	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
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	28	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C alpha using [gamma-33P]-ATP				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					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 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	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Protein kinase C delta				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Platelet-derived growth factor receptor in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (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	140	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of RAF1				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (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	9	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of AKT2				Bioorg Med Chem Lett 16: 4163-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C
Chiron Corporation 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)