BDBM50240840 CHEMBL4090548

SMILES: CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1

InChI Key: InChIKey=VSOZZMAKGFIDLM-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 = 50240840   

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))	BDBM50240840 (CHEMBL4090548) Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.631	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240840 (CHEMBL4090548) Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	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