BDBM50383010 CHEMBL2030706

SMILES: O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1

InChI Key: InChIKey=TYMRXESQMJNRFG-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 = 50383010   

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))	BDBM50383010 (CHEMBL2030706) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1 Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2	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	15.8	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 A2A adenosine receptor expressed in CHO cell membrane				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50383010 (CHEMBL2030706) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1 Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50383010 (CHEMBL2030706) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1 Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 A1 adenosine receptor expressed in CHO cell membrane				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50383010 (CHEMBL2030706) Show SMILES O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1 Show InChI InChI=1S/C21H16N4O2/c26-20-19(18-11-6-14-27-18)22-23-21-24(13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25(20)21/h1-11,14H,12-13H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation				J Med Chem 55: 1490-9 (2012) Article DOI: 10.1021/jm201177b BindingDB Entry DOI: 10.7270/Q2CR5VCS
					More data for this Ligand-Target Pair