BDBM50224361 4-amino-8-chloro-2-(4-chloro-phenyl)-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-1-one::CHEMBL235076

SMILES: Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O

InChI Key: InChIKey=QEKAHUYYWSNHDY-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 = 50224361   

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))	BDBM50224361 (4-amino-8-chloro-2-(4-chloro-phenyl)-3,3a,5,9b-tet...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C15H9Cl2N5O/c16-9-3-1-8(2-4-9)13-14(23)21-12-7-10(17)5-6-11(12)19-15(18)22(21)20-13/h1-7H,(H2,18,19)	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	67.5	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))	BDBM50224361 (4-amino-8-chloro-2-(4-chloro-phenyl)-3,3a,5,9b-tet...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C15H9Cl2N5O/c16-9-3-1-8(2-4-9)13-14(23)21-12-7-10(17)5-6-11(12)19-15(18)22(21)20-13/h1-7H,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	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))	BDBM50224361 (4-amino-8-chloro-2-(4-chloro-phenyl)-3,3a,5,9b-tet...) Show SMILES Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C15H9Cl2N5O/c16-9-3-1-8(2-4-9)13-14(23)21-12-7-10(17)5-6-11(12)19-15(18)22(21)20-13/h1-7H,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	557	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