BDBM50224353 CHEMBL235294::N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-benzamide

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

InChI Key: InChIKey=OFDQIHUVLITVFQ-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 = 50224353   

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))	BDBM50224353 (CHEMBL235294 | N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetr...) Show SMILES O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C22H15N5O2/c28-20(16-11-5-2-6-12-16)24-22-23-17-13-7-8-14-18(17)26-21(29)19(25-27(22)26)15-9-3-1-4-10-15/h1-14H,(H,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	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 A1 (Homo sapiens (Human))	BDBM50224353 (CHEMBL235294 | N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetr...) Show SMILES O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C22H15N5O2/c28-20(16-11-5-2-6-12-16)24-22-23-17-13-7-8-14-18(17)26-21(29)19(25-27(22)26)15-9-3-1-4-10-15/h1-14H,(H,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	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 A2a (Homo sapiens (Human))	BDBM50224353 (CHEMBL235294 | N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetr...) Show SMILES O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C22H15N5O2/c28-20(16-11-5-2-6-12-16)24-22-23-17-13-7-8-14-18(17)26-21(29)19(25-27(22)26)15-9-3-1-4-10-15/h1-14H,(H,23,24,28)	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	1.03E+3	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