SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 200.2
BDBM13337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of human MAPK p38alpha				Bioorg Med Chem 18: 2204-18 (2010) Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ
King's College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
deCODE biostructures, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE biostructures, Inc. Curated by ChEMBL					Assay Description Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...				J Med Chem 52: 4694-715 (2009) Article DOI: 10.1021/jm900259h BindingDB Entry DOI: 10.7270/Q2F47P6N
deCODE biostructures, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	7.4	22
Astex					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...				J Med Chem 48: 414-26 (2005) Article DOI: 10.1021/jm049575n BindingDB Entry DOI: 10.7270/Q26M352S
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)				J Med Chem 57: 249-77 (2014) Article DOI: 10.1021/jm400378w BindingDB Entry DOI: 10.7270/Q2DB84T7
VU University Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM13337 (3-(benzyloxy)pyridin-2-amine \| EN300-247019 \| Pyri...) Show SMILES Nc1ncccc1OCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.92E+5	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by 2D- NOESY analysis				J Med Chem 54: 6000-13 (2011) Article DOI: 10.1021/jm200826s BindingDB Entry DOI: 10.7270/Q2NC61M2
					More data for this Ligand-Target Pair