BDBM50239712 CHEMBL4102685

SMILES: COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)c(F)c3)cc2NC1=O

InChI Key: InChIKey=JQMIMFOPQCDXLA-HSZRJFAPSA-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 = 50239712   

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))	BDBM50239712 (CHEMBL4102685) Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)c(F)c3)cc2NC1=O |r| Show InChI InChI=1S/C30H30F2N4O7/c1-36(2)18-5-4-6-19(12-18)43-26-13-20-24(35-30(40)23(34-29(20)39)9-10-28(38)41-3)14-25(26)33-27(37)16-42-15-17-7-8-21(31)22(32)11-17/h4-8,11-14,23H,9-10,15-16H2,1-3H3,(H,33,37)(H,34,39)(H,35,40)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50239712 (CHEMBL4102685) Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)c(F)c3)cc2NC1=O |r| Show InChI InChI=1S/C30H30F2N4O7/c1-36(2)18-5-4-6-19(12-18)43-26-13-20-24(35-30(40)23(34-29(20)39)9-10-28(38)41-3)14-25(26)33-27(37)16-42-15-17-7-8-21(31)22(32)11-17/h4-8,11-14,23H,9-10,15-16H2,1-3H3,(H,33,37)(H,34,39)(H,35,40)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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