SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 285.2
BDBM38949

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

Found 12 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
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM38949 (4-methoxy-N-[(4-methyl-2-pyridyl)carbamoyl]benzami...) Show SMILES COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair