BDBM50224350 4-amino-8-chloro-2-phenyl-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-1-one::CHEMBL394064

SMILES: Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O

InChI Key: InChIKey=LEOMMCGIZNQEEE-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 = 50224350   

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 A2a (Homo sapiens (Human))	BDBM50224350 (4-amino-8-chloro-2-phenyl-3,3a,5,9b-tetraaza-cyclo...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C15H10ClN5O/c16-10-6-7-11-12(8-10)20-14(22)13(9-4-2-1-3-5-9)19-21(20)15(17)18-11/h1-8H,(H2,17,18)	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	4.70	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224350 (4-amino-8-chloro-2-phenyl-3,3a,5,9b-tetraaza-cyclo...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C15H10ClN5O/c16-10-6-7-11-12(8-10)20-14(22)13(9-4-2-1-3-5-9)19-21(20)15(17)18-11/h1-8H,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80.2	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))	BDBM50224350 (4-amino-8-chloro-2-phenyl-3,3a,5,9b-tetraaza-cyclo...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C15H10ClN5O/c16-10-6-7-11-12(8-10)20-14(22)13(9-4-2-1-3-5-9)19-21(20)15(17)18-11/h1-8H,(H2,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	295	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