null

SMILES: [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1

InChI Key: InChIKey=QDXGUEAORKHSFK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 44128   

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
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.72E+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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.01E+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))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.40E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.43E+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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM44128 (1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.95E+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