BDBM50240853 CHEMBL4084856

SMILES: COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21

InChI Key: InChIKey=ZBJPOXCZZWJOGJ-UHFFFAOYSA-N

Data: 2 KI

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 = 50240853   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240853 (CHEMBL4084856) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding activity against HIV-1 Protease				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240853 (CHEMBL4084856) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair