BDBM50249577 CHEMBL4072531::US10729695, Compound CB-4

SMILES: OC(Cn1ccc2ccccc12)Cn1cnc2ccccc12

InChI Key: InChIKey=HLMIKNQKYHOLTJ-UHFFFAOYSA-N

Data: 2 Kd

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 = 50249577   

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))	BDBM50249577 (CHEMBL4072531 | US10729695, Compound CB-4) Show SMILES OC(Cn1ccc2ccccc12)Cn1cnc2ccccc12 Show InChI InChI=1S/C18H17N3O/c22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,13,15,22H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2	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)
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50249577 (CHEMBL4072531 | US10729695, Compound CB-4) Show SMILES OC(Cn1ccc2ccccc12)Cn1cnc2ccccc12 Show InChI InChI=1S/C18H17N3O/c22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,13,15,22H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	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