BDBM50399566 CHEMBL2180937

SMILES: Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=FSPHFYJVKIBWCA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50399566   

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))	BDBM50399566 (CHEMBL2180937) Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50399566 (CHEMBL2180937) Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)	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	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50399566 (CHEMBL2180937) Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50399566 (CHEMBL2180937) Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as NECA-induced adenylate cyclase activity				J Med Chem 55: 9654-68 (2012) Article DOI: 10.1021/jm300899q BindingDB Entry DOI: 10.7270/Q2348MJK
					More data for this Ligand-Target Pair