Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.4 BDBM37716

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

Found 6 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	koff s-1	kon M-1s-1	pH	Temp °C
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	>4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	>4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NZ862K
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J67FB5
					More data for this Ligand-Target Pair
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM37716 (6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-...) Show SMILES CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12 Show InChI InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.13E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair