BDBM62250 1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]propan-1-one::1-[5-[4-(4-acetylphenyl)piperazino]sulfonyl-2-methyl-indolin-1-yl]propan-1-one::1-[5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]propan-1-one::1-[5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]-1-propanone::MLS-0412139.0001::cid_44182144

SMILES: CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

InChI Key: InChIKey=AMRURXXIOGUNSH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 62250   

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))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	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	2.00E+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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	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))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	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	1.63E+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