BDBM50239692 CHEMBL4091371

SMILES: CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)NC(C)(C)C)NC3=O)cc2NC(=O)COCc2ccccc2)c1

InChI Key: InChIKey=VOYRVLGBGAGOOA-RUZDIDTESA-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 = 50239692   

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))	BDBM50239692 (CHEMBL4091371) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)NC(C)(C)C)NC3=O)cc2NC(=O)COCc2ccccc2)c1 |r| Show InChI InChI=1S/C33H39N5O6/c1-33(2,3)37-29(39)15-14-25-32(42)36-26-18-27(34-30(40)20-43-19-21-10-7-6-8-11-21)28(17-24(26)31(41)35-25)44-23-13-9-12-22(16-23)38(4)5/h6-13,16-18,25H,14-15,19-20H2,1-5H3,(H,34,40)(H,35,41)(H,36,42)(H,37,39)/t25-/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	2.27E+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))	BDBM50239692 (CHEMBL4091371) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)NC(C)(C)C)NC3=O)cc2NC(=O)COCc2ccccc2)c1 |r| Show InChI InChI=1S/C33H39N5O6/c1-33(2,3)37-29(39)15-14-25-32(42)36-26-18-27(34-30(40)20-43-19-21-10-7-6-8-11-21)28(17-24(26)31(41)35-25)44-23-13-9-12-22(16-23)38(4)5/h6-13,16-18,25H,14-15,19-20H2,1-5H3,(H,34,40)(H,35,41)(H,36,42)(H,37,39)/t25-/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	1.11E+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 In vitro inhibition of bovine monoamine oxidase B.				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