BDBM50239686 CHEMBL4097753

SMILES: CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCC(F)CC4)NC3=O)cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=WQSZXQCNJGOWQU-HHHXNRCGSA-N

Data: 2 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 2 hits for monomerid = 50239686   

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 protein 2 (Homo sapiens (Human))	BDBM50239686 (CHEMBL4097753) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCC(F)CC4)NC3=O)cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C35H37F4N5O6/c1-43(2)24-4-3-5-25(16-24)50-30-17-26-28(18-29(30)40-31(45)20-49-19-21-6-8-22(9-7-21)35(37,38)39)42-34(48)27(41-33(26)47)10-11-32(46)44-14-12-23(36)13-15-44/h3-9,16-18,23,27H,10-15,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...				J Med Chem 60: 5162-5192 (2017) Article DOI: 10.1021/acs.jmedchem.7b00608 BindingDB Entry DOI: 10.7270/Q21N839S
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM50239686 (CHEMBL4097753) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCC(F)CC4)NC3=O)cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C35H37F4N5O6/c1-43(2)24-4-3-5-25(16-24)50-30-17-26-28(18-29(30)40-31(45)20-49-19-21-6-8-22(9-7-21)35(37,38)39)42-34(48)27(41-33(26)47)10-11-32(46)44-14-12-23(36)13-15-44/h3-9,16-18,23,27H,10-15,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...				J Med Chem 60: 5162-5192 (2017) Article DOI: 10.1021/acs.jmedchem.7b00608 BindingDB Entry DOI: 10.7270/Q21N839S
					More data for this Ligand-Target Pair