SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.4
BDBM37340

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.04E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.04E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.89E+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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	434	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P2 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P4 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM37340 (MLS000116372 \| N,N-dicyclohexyl-5-propyl-1,2-oxazo...) Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.70E+3	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 Networ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PZ576Z
					More data for this Ligand-Target Pair