BDBM54194 1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidinylmethyl)-1H-indol-6-ol hydrochloride::1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidinylmethyl)-6-indolol;hydrochloride::1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidin-1-ylmethyl)indol-6-ol;hydrochloride::1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(piperidinomethyl)indol-6-ol;hydrochloride::MLS000530226::SMR000135203::cid_2834628

SMILES: COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12

InChI Key: InChIKey=VKQDQUKUVXGKRA-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 54194   

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))	BDBM54194 (1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidi...) Show SMILES COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12 Show InChI InChI=1S/C22H25N3O4/c1-15-21(25(27)28)18-10-11-20(26)19(14-23-12-4-3-5-13-23)22(18)24(15)16-6-8-17(29-2)9-7-16/h6-11,26H,3-5,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.39E+3	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54194 (1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidi...) Show SMILES COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12 Show InChI InChI=1S/C22H25N3O4/c1-15-21(25(27)28)18-10-11-20(26)19(14-23-12-4-3-5-13-23)22(18)24(15)16-6-8-17(29-2)9-7-16/h6-11,26H,3-5,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.10E+3	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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54194 (1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidi...) Show SMILES COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12 Show InChI InChI=1S/C22H25N3O4/c1-15-21(25(27)28)18-10-11-20(26)19(14-23-12-4-3-5-13-23)22(18)24(15)16-6-8-17(29-2)9-7-16/h6-11,26H,3-5,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.77E+3	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