SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.3
BDBM50594804

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

Found 8 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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50594804 (CHEMBL5179916) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
TBA					More data for this Ligand-Target Pair