Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.90 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.60 | -49.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
GlaxoSmithKline | Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 5.60 | -46.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 7.80 | -48.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
GlaxoSmithKline | Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 15 | -46.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
GlaxoSmithKline | Assay Description In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 16 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
GlaxoSmithKline | Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 23 | -43.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 30 | -42.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 41 | -42.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
GlaxoSmithKline | Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 95 | -39.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GlaxoSmithKline | Assay Description In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.60E+3 | -31.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
GlaxoSmithKline | Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye... | J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine--tRNA ligase (Staphylococcus aureus) | BDBM18131 (SB-243545 | butyl (2S)-2-[(2S)-2-amino-3-(4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 7.9 | 37 |
GSK | Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ... | Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine--tRNA ligase (Staphylococcus aureus) | BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.9 | 37 |
GSK | Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ... | Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine--tRNA ligase (Staphylococcus aureus) | BDBM18130 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.9 | 37 |
GSK | Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ... | Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine--tRNA ligase (Staphylococcus aureus) | BDBM18132 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.9 | 37 |
GSK | Assay Description The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ... | Protein Sci 10: 2008-16 (2001) Article DOI: 10.1110/ps.18001 BindingDB Entry DOI: 10.7270/Q2NG4NXT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |