SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3
BDBM50537599

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				J Med Chem 62: 5298-5311 (2019) Article DOI: 10.1021/acs.jmedchem.9b00058 BindingDB Entry DOI: 10.7270/Q24170ZD
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration dependent ability of compounds to inhibit human p38α MAPK, p38β MAPK and CK-1δ were done essentially as described in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2251NBP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				J Med Chem 62: 5298-5311 (2019) Article DOI: 10.1021/acs.jmedchem.9b00058 BindingDB Entry DOI: 10.7270/Q24170ZD
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration dependent ability of compounds to inhibit human p38α MAPK, p38β MAPK and CK-1δ were done essentially as described in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2251NBP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				J Med Chem 62: 5298-5311 (2019) Article DOI: 10.1021/acs.jmedchem.9b00058 BindingDB Entry DOI: 10.7270/Q24170ZD
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration dependent ability of compounds to inhibit human p38α MAPK, p38β MAPK and CK-1δ were done essentially as described in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2251NBP
TBA					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50537599 (CHEMBL4648060 \| US11149020, Compound 2 (MW-108)) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L				J Med Chem 62: 5298-5311 (2019) Article DOI: 10.1021/acs.jmedchem.9b00058 BindingDB Entry DOI: 10.7270/Q24170ZD
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair