BDBM54478 MLS001095185::N-(3-chloranyl-4-methyl-phenyl)-1-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide::N-(3-chloro-4-methyl-phenyl)-1-[(3-keto-2-methyl-4H-1,4-benzothiazin-6-yl)sulfonyl]isonipecotamide::N-(3-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-4-piperidinecarboxamide::N-(3-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide::SMR000630221::cid_20927392

SMILES: CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1

InChI Key: InChIKey=RWVUMQOYOPSNTR-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 54478   

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 2 (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.94E+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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.35E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.72E+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
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.94E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.84E+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/Q2PR7TDC
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.60E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM54478 (MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...) Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+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/Q2Z899VD
					More data for this Ligand-Target Pair