BDBM50399565 CHEMBL2180938

SMILES: COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC

InChI Key: InChIKey=MWVVPKMOFGWWBE-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 = 50399565   

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))	BDBM50399565 (CHEMBL2180938) Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.1	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))	BDBM50399565 (CHEMBL2180938) Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24)	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	64.1	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))	BDBM50399565 (CHEMBL2180938) Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72E+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))	BDBM50399565 (CHEMBL2180938) Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24)	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