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SMILES: COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1

InChI Key: InChIKey=MBBUHPYZYTUFFC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249571   

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
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50249571 (CHEMBL4101927 | US10729695, Compound CB-6) Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
The Research Foundation for the State University of New York; New York University US Patent					Assay Description Day 1Step 1. Add 50 μl anti-mDial (1:160 dilution in 0.1M NaHCO3 pH 9.6)/well. Incubate overnight at 4° C.Day 2Step 2. Use the plate washer to a...				US Patent US10729695 (2020) BindingDB Entry DOI: 10.7270/Q20868CW
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50249571 (CHEMBL4101927 | US10729695, Compound CB-6) Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of CML binding to RAGE (unknown origin) by ELISA				J Med Chem 60: 7213-7232 (2017) Article DOI: 10.1021/acs.jmedchem.7b00058 BindingDB Entry DOI: 10.7270/Q2KD21BP
					More data for this Ligand-Target Pair