BDBM50224354 CHEMBL398787::N-benzoyl-N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-benzamide

SMILES: O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1

InChI Key: InChIKey=CQAIQADUPVBHNR-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 = 50224354   

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))	BDBM50224354 (CHEMBL398787 | N-benzoyl-N-(1-oxo-2-phenyl-1H-3,3a...) Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C29H19N5O3/c35-26(21-14-6-2-7-15-21)32(27(36)22-16-8-3-9-17-22)29-30-23-18-10-11-19-24(23)33-28(37)25(31-34(29)33)20-12-4-1-5-13-20/h1-19H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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))	BDBM50224354 (CHEMBL398787 | N-benzoyl-N-(1-oxo-2-phenyl-1H-3,3a...) Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C29H19N5O3/c35-26(21-14-6-2-7-15-21)32(27(36)22-16-8-3-9-17-22)29-30-23-18-10-11-19-24(23)33-28(37)25(31-34(29)33)20-12-4-1-5-13-20/h1-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	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))	BDBM50224354 (CHEMBL398787 | N-benzoyl-N-(1-oxo-2-phenyl-1H-3,3a...) Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1 Show InChI InChI=1S/C29H19N5O3/c35-26(21-14-6-2-7-15-21)32(27(36)22-16-8-3-9-17-22)29-30-23-18-10-11-19-24(23)33-28(37)25(31-34(29)33)20-12-4-1-5-13-20/h1-19H	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	4.80E+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