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SMILES: Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C

InChI Key: InChIKey=CPUFILKHDXQMHG-UHFFFAOYSA-N

PDB links: 2334 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 237   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM237 (1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...) Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM237 (1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...) Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM237 (1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...) Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F47MKR
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM237 (1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...) Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028PZ5
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM237 (1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...) Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair