BDBM50116370 1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL322250

SMILES: CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O

InChI Key: InChIKey=LDLBAAURBBVHGB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50116370   

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))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair