BDBM50224346 1-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-3-phenyl-urea::CHEMBL235718

SMILES: O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O

InChI Key: InChIKey=BVOVJLLRSXDRRX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50224346   

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 A1 (Homo sapiens (Human))	BDBM50224346 (1-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-20-19(15-9-3-1-4-10-15)26-28-21(24-17-13-7-8-14-18(17)27(20)28)25-22(30)23-16-11-5-2-6-12-16/h1-14H,(H2,23,24,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50224346 (1-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-20-19(15-9-3-1-4-10-15)26-28-21(24-17-13-7-8-14-18(17)27(20)28)25-22(30)23-16-11-5-2-6-12-16/h1-14H,(H2,23,24,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50224346 (1-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C22H16N6O2/c29-20-19(15-9-3-1-4-10-15)26-28-21(24-17-13-7-8-14-18(17)27(20)28)25-22(30)23-16-11-5-2-6-12-16/h1-14H,(H2,23,24,25,30)	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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair