BDBM50240831 CHEMBL4068128

SMILES: COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21

InChI Key: InChIKey=LEJGYDBRAZAJPJ-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 = 50240831   

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))	BDBM50240831 (CHEMBL4068128) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state.				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))	BDBM50240831 (CHEMBL4068128) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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