BDBM62238 1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one::1-[5-[4-(4-chlorophenyl)piperazino]sulfonylindolin-1-yl]propan-1-one::1-[5-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone::MLS-0412050.0001::cid_16000292

SMILES: CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=QRMVOOXMPPYYII-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 62238   

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 1 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	2.00E+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/Q2Z899VD
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	2.00E+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/Q2Z899VD
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	2.00E+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/Q2Z899VD
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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/Q2TH8K43
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	>2.00E+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/Q2PR7TDC
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	>2.00E+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/Q2PR7TDC
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM62238 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2,...) Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-2-21(26)25-10-9-16-15-19(7-8-20(16)25)29(27,28)24-13-11-23(12-14-24)18-5-3-17(22)4-6-18/h3-8,15H,2,9-14H2,1H3	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	>2.00E+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/Q2PR7TDC
					More data for this Ligand-Target Pair