BDBM50239702 CHEMBL4093654

SMILES: COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O

InChI Key: InChIKey=GFJUUKKAAIPXCY-AREMUKBSSA-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 = 50239702   

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))	BDBM50239702 (CHEMBL4093654) Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O |r| Show InChI InChI=1S/C34H40N4O7/c1-34(2,3)22-12-10-21(11-13-22)19-44-20-30(39)35-28-18-27-25(17-29(28)45-24-9-7-8-23(16-24)38(4)5)32(41)36-26(33(42)37-27)14-15-31(40)43-6/h7-13,16-18,26H,14-15,19-20H2,1-6H3,(H,35,39)(H,36,41)(H,37,42)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM50239702 (CHEMBL4093654) Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O |r| Show InChI InChI=1S/C34H40N4O7/c1-34(2,3)22-12-10-21(11-13-22)19-44-20-30(39)35-28-18-27-25(17-29(28)45-24-9-7-8-23(16-24)38(4)5)32(41)36-26(33(42)37-27)14-15-31(40)43-6/h7-13,16-18,26H,14-15,19-20H2,1-6H3,(H,35,39)(H,36,41)(H,37,42)/t26-/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	1.96E+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 Tested for inhibitory activity against IgA1 proteinase				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