BDBM50397721 CHEMBL2181977

SMILES: Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1

InChI Key: InChIKey=XMKOEROSRMQYPX-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50397721   

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))	BDBM50397721 (CHEMBL2181977) Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C25H19F2N7O/c1-15-6-8-16(9-7-15)22-29-23(31-25(35)28-19-12-10-18(26)11-13-19)21-24(30-22)34(33-32-21)14-17-4-2-3-5-20(17)27/h2-13H,14H2,1H3,(H2,28,29,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50397721 (CHEMBL2181977) Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C25H19F2N7O/c1-15-6-8-16(9-7-15)22-29-23(31-25(35)28-19-12-10-18(26)11-13-19)21-24(30-22)34(33-32-21)14-17-4-2-3-5-20(17)27/h2-13H,14H2,1H3,(H2,28,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50397721 (CHEMBL2181977) Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C25H19F2N7O/c1-15-6-8-16(9-7-15)22-29-23(31-25(35)28-19-12-10-18(26)11-13-19)21-24(30-22)34(33-32-21)14-17-4-2-3-5-20(17)27/h2-13H,14H2,1H3,(H2,28,29,30,31,35)	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	8.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50397721 (CHEMBL2181977) Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1 Show InChI InChI=1S/C25H19F2N7O/c1-15-6-8-16(9-7-15)22-29-23(31-25(35)28-19-12-10-18(26)11-13-19)21-24(30-22)34(33-32-21)14-17-4-2-3-5-20(17)27/h2-13H,14H2,1H3,(H2,28,29,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair