BDBM62330 MLS-0425629.0001::N-(4-chlorophenyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide::cid_44251474

SMILES: Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1

InChI Key: InChIKey=PFWKCRBPHMRNAX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 62330   

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))	BDBM62330 (MLS-0425629.0001 | N-(4-chlorophenyl)-4-[2-(3,4-di...) Show SMILES Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)	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+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))	BDBM62330 (MLS-0425629.0001 | N-(4-chlorophenyl)-4-[2-(3,4-di...) Show SMILES Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM62330 (MLS-0425629.0001 | N-(4-chlorophenyl)-4-[2-(3,4-di...) Show SMILES Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)	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+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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62330 (MLS-0425629.0001 | N-(4-chlorophenyl)-4-[2-(3,4-di...) Show SMILES Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM62330 (MLS-0425629.0001 | N-(4-chlorophenyl)-4-[2-(3,4-di...) Show SMILES Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)	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	>2.00E+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